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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 13601 | A1B2E | 2 | C14 H15 N3 O3 | InChI=1S/C14H15N3O3/c15-1 4(19)9-5-6-13(18)17(7-9)8 -11-10-3-1-2-4-12(10)20-1 6-11/h1-4,9H,5-8H2,(H2,15 ,19)/t9-/m0/s1; HVDPIVYFHACNKQ-VIFPVBQESA-N |
c1ccc2c(c1)c(no2)CN3CC(CCC3=O)C(=O)N; c1 ccc2c(c1)c(no2)CN3C[C@H](CCC3=O)C(=O)N; NC(=O)C1CCC(=O)N(C1)Cc1noc2ccccc21; NC(= O)[C@H]1CCC(=O)N(C1)Cc2noc3ccccc23; NC(= O)[CH]1CCC(=O)N(C1)Cc2noc3ccccc23 |
(3S)-1-[(1,2-benzoxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13602 | A1B2G | 2 | C14 H15 Br F2 N2 O2 | InChI=1S/C14H15BrF2N2O2/c 15-12-8(3-4-10(16)13(12)1 7)6-11(20)19-5-1-2-9(7-19 )14(18)21/h3-4,9H,1-2,5-7 H2,(H2,18,21)/t9-/m0/s1; CAOQILUKBAIRHC-VIFPVBQESA-N |
O=C(Cc1ccc(F)c(F)c1Br)N1CCCC(C1)C(N)=O; NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccc(F)c(F)c2B r; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc(F)c(F )c2Br; c1cc(c(c(c1CC(=O)N2CCC[C@@H](C2)C (=O)N)Br)F)F; c1cc(c(c(c1CC(=O)N2CCCC(C2 )C(=O)N)Br)F)F |
(3S)-1-[(2-bromo-3,4-difluorophenyl)acetyl]piperidine-3-carboxamide |
| 13603 | A1B2H | 1 | C15 H17 F3 N2 O2 | InChI=1S/C15H17F3N2O2/c16 -15(17,18)12-6-2-1-4-10(1 2)8-13(21)20-7-3-5-11(9-2 0)14(19)22/h1-2,4,6,11H,3 ,5,7-9H2,(H2,19,22)/t11-/ m0/s1; QPXHUQPZPULEMO-NSHDSACASA-N |
c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C (F)(F)F; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc cc2C(F)(F)F; c1ccc(c(c1)CC(=O)N2CCCC(C2) C(=O)N)C(F)(F)F; O=C(Cc1ccccc1C(F)(F)F)N 1CCCC(C1)C(N)=O; NC(=O)[CH]1CCCN(C1)C(=O )Cc2ccccc2C(F)(F)F |
(3S)-1-{[2-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13604 | A1B2I | 1 | C16 H21 N3 O4 S | InChI=1S/C16H21N3O4S/c17- 15(20)12-5-2-8-19(10-12)1 6(21)18-13-7-1-4-11-6-3-9 -24(22,23)14(11)13/h1,4,7 ,12H,2-3,5-6,8-10H2,(H2,1 7,20)(H,18,21)/t12-/m0/s1; JYAIADPZFKQZMS-LBPRGKRZSA-N |
c1cc2c(c(c1)NC(=O)N3CCC[C@@H](C3)C(=O)N) S(=O)(=O)CCC2; NC(=O)[CH]1CCCN(C1)C(=O)N c2cccc3CCC[S](=O)(=O)c23; NC(=O)[C@H]1CC CN(C1)C(=O)Nc2cccc3CCC[S](=O)(=O)c23; c1 cc2c(c(c1)NC(=O)N3CCCC(C3)C(=O)N)S(=O)(= O)CCC2; NC(=O)C1CCCN(C1)C(=O)Nc1cccc2CCC S(=O)(=O)c12 |
(3S)-N~1~-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-8-yl)piperidine-1,3-dicarboxamide |
| 13605 | A1B2J | 2 | C16 H19 Cl N2 O4 | InChI=1S/C16H19ClN2O4/c17 -12-8-14-13(22-4-5-23-14) 6-11(12)7-15(20)19-3-1-2- 10(9-19)16(18)21/h6,8,10H ,1-5,7,9H2,(H2,18,21)/t10 -/m0/s1; JLLIPNXJKWLVDW-JTQLQIEISA-N |
c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCCC(C3)C(=O )N; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc3OCCOc 3cc2Cl; NC(=O)C1CCCN(C1)C(=O)Cc1cc2OCCOc 2cc1Cl; c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCC[ C@@H](C3)C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O )Cc2cc3OCCOc3cc2Cl |
(3S)-1-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidine-3-carboxamide |
| 13606 | A1B2K | 1 | C15 H19 Br N2 O2 S | InChI=1S/C15H19BrN2O2S/c1 -21-13-6-2-5-12(16)11(13) 8-14(19)18-7-3-4-10(9-18) 15(17)20/h2,5-6,10H,3-4,7 -9H2,1H3,(H2,17,20)/t10-/ m0/s1; SRQVRMUCHBMAPS-JTQLQIEISA-N |
CSc1cccc(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)B r; CSc1cccc(Br)c1CC(=O)N2CCC[C@@H](C2)C( N)=O; O=C(Cc1c(SC)cccc1Br)N1CCCC(C1)C(N) =O; CSc1cccc(c1CC(=O)N2CCCC(C2)C(=O)N)Br ; CSc1cccc(Br)c1CC(=O)N2CCC[CH](C2)C(N)= O |
(3S)-1-{[2-bromo-6-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13607 | A1B2L | 2 | C15 H17 Br N2 O4 | InChI=1S/C15H17BrN2O4/c16 -11-6-13-12(21-8-22-13)4- 10(11)5-14(19)18-3-1-2-9( 7-18)15(17)20/h4,6,9H,1-3 ,5,7-8H2,(H2,17,20)/t9-/m 0/s1; ZWOYLBVAIIBBQA-VIFPVBQESA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc3OCOc3cc2B r; c1c(c(cc2c1OCO2)Br)CC(=O)N3CCC[C@@H]( C3)C(=O)N; c1c(c(cc2c1OCO2)Br)CC(=O)N3CC CC(C3)C(=O)N; NC(=O)C1CCCN(C1)C(=O)Cc1cc 2OCOc2cc1Br; NC(=O)[CH]1CCCN(C1)C(=O)Cc2 cc3OCOc3cc2Br |
(3S)-1-[(6-bromo-2H-1,3-benzodioxol-5-yl)acetyl]piperidine-3-carboxamide |
| 13608 | A1B2M | 2 | C16 H21 N3 O2 S | InChI=1S/C16H21N3O2S/c17- 15(20)12-5-2-8-19(10-12)1 6(21)18-13-7-1-4-11-6-3-9 -22-14(11)13/h1,4,7,12H,2 -3,5-6,8-10H2,(H2,17,20)( H,18,21)/t12-/m0/s1; OARBYSRMZQWEJK-LBPRGKRZSA-N |
NC(=O)C1CCCN(C1)C(=O)Nc1cccc2CCCSc12; NC (=O)[CH]1CCCN(C1)C(=O)Nc2cccc3CCCSc23; c 1cc2c(c(c1)NC(=O)N3CCCC(C3)C(=O)N)SCCC2; c1cc2c(c(c1)NC(=O)N3CCC[C@@H](C3)C(=O)N )SCCC2; NC(=O)[C@H]1CCCN(C1)C(=O)Nc2cccc 3CCCSc23 |
(3S)-N~1~-(3,4-dihydro-2H-1-benzothiopyran-8-yl)piperidine-1,3-dicarboxamide |
| 13609 | A1B2N | 1 | C15 H20 N2 O4 S | InChI=1S/C15H20N2O4S/c1-2 2(20,21)13-7-3-2-5-11(13) 9-14(18)17-8-4-6-12(10-17 )15(16)19/h2-3,5,7,12H,4, 6,8-10H2,1H3,(H2,16,19)/t 12-/m0/s1; PSAGHVQLKXCCTK-LBPRGKRZSA-N |
CS(=O)(=O)c1ccccc1CC(=O)N2CCC[C@@H](C2)C (=O)N; C[S](=O)(=O)c1ccccc1CC(=O)N2CCC[C @@H](C2)C(N)=O; O=C(Cc1ccccc1S(C)(=O)=O) N1CCCC(C1)C(N)=O; CS(=O)(=O)c1ccccc1CC(= O)N2CCCC(C2)C(=O)N; C[S](=O)(=O)c1ccccc1 CC(=O)N2CCC[CH](C2)C(N)=O |
(3S)-1-{[2-(methanesulfonyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13610 | A1B2O | 1 | C14 H19 N3 O2 S | InChI=1S/C14H19N3O2S/c1-1 6(11-5-3-4-6-12(11)20-2)1 4(19)17-8-7-10(9-17)13(15 )18/h3-6,10H,7-9H2,1-2H3, (H2,15,18)/t10-/m0/s1; GDQIPIWSEBEWLA-JTQLQIEISA-N |
CN(c1ccccc1SC)C(=O)N2CC[C@@H](C2)C(=O)N; CSc1ccccc1N(C)C(=O)N2CC[C@@H](C2)C(N)=O ; CN(c1ccccc1SC)C(=O)N2CCC(C2)C(=O)N; O= C(N)C1CCN(C1)C(=O)N(C)c1ccccc1SC; CSc1cc ccc1N(C)C(=O)N2CC[CH](C2)C(N)=O |
(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]pyrrolidine-1,3-dicarboxamide |
| 13611 | A1B2P | 1 | C14 H19 N3 O2 S | InChI=1S/C14H19N3O2S/c1-2 0-12-8-16-5-4-10(12)7-13( 18)17-6-2-3-11(9-17)14(15 )19/h4-5,8,11H,2-3,6-7,9H 2,1H3,(H2,15,19)/t11-/m0/ s1; AOKSKQYDEIWOHX-NSHDSACASA-N |
CSc1cnccc1CC(=O)N2CCC[C@@H](C2)C(N)=O; C Sc1cnccc1CC(=O)N2CCC[C@@H](C2)C(=O)N; CS c1cnccc1CC(=O)N2CCC[CH](C2)C(N)=O; CSc1c nccc1CC(=O)N2CCCC(C2)C(=O)N; O=C(Cc1ccnc c1SC)N1CCCC(C1)C(N)=O |
(3S)-1-{[3-(methylsulfanyl)pyridin-4-yl]acetyl}piperidine-3-carboxamide |
| 13612 | A1B2Q | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-5-3-2-4-10(12)8-16-9 -11(14(15)18)6-7-13(16)17 /h2-5,11H,6-9H2,1H3,(H2,1 5,18)/t11-/m0/s1; RLHAKIZJEMHKDK-NSHDSACASA-N |
CSc1ccccc1CN2C[C@@H](CCC2=O)C(N)=O; CSc1 ccccc1CN2C[C@@H](CCC2=O)C(=O)N; CSc1cccc c1CN2CC(CCC2=O)C(=O)N; NC(=O)C1CCC(=O)N( Cc2ccccc2SC)C1; CSc1ccccc1CN2C[CH](CCC2= O)C(N)=O |
(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide |
| 13613 | A1B2R | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-5-3-2-4-10(12)8-16-9 -11(14(15)18)6-7-13(16)17 /h2-5,11H,6-9H2,1H3,(H2,1 5,18)/t11-/m0/s1; RLHAKIZJEMHKDK-NSHDSACASA-N |
CSc1ccccc1CN2C[C@H](CCC2=O)C(N)=O; CSc1c cccc1CN2C[C@H](CCC2=O)C(=O)N; CSc1ccccc1 CN2CC(CCC2=O)C(=O)N; NC(=O)C1CCC(=O)N(Cc 2ccccc2SC)C1; CSc1ccccc1CN2C[CH](CCC2=O) C(N)=O |
(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide |
| 13614 | A1B2S | 1 | C13 H22 N2 O2 S | InChI=1S/C13H22N2O2S/c1-1 8-9-13(4-5-13)7-11(16)15- 6-2-3-10(8-15)12(14)17/h1 0H,2-9H2,1H3,(H2,14,17)/t 10-/m0/s1; HUXPZZDRMFMXBF-JTQLQIEISA-N |
CSCC1(CC1)CC(=O)N2CCC[C@@H](C2)C(=O)N; C SCC1(CC1)CC(=O)N2CCC[CH](C2)C(N)=O; CSCC 1(CC1)CC(=O)N2CCCC(C2)C(=O)N; CSCC1(CC1) CC(=O)N2CCC[C@@H](C2)C(N)=O; O=C(CC1(CSC )CC1)N1CCCC(C1)C(N)=O |
(3S)-1-({1-[(methylsulfanyl)methyl]cyclopropyl}acetyl)piperidine-3-carboxamide |
| 13615 | A1B2T | 1 | C12 H19 N5 O2 S | InChI=1S/C12H19N5O2S/c1-1 6-7-9(20-2)11(15-16)14-12 (19)17-5-3-4-8(6-17)10(13 )18/h7-8H,3-6H2,1-2H3,(H2 ,13,18)(H,14,15,19)/t8-/m 0/s1; XJTLXYFPHTXJQS-QMMMGPOBSA-N |
Cn1cc(c(n1)NC(=O)N2CCCC(C2)C(=O)N)SC; Cn 1cc(c(n1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC; O=C(Nc1nn(C)cc1SC)N1CCCC(C1)C(N)=O; CSc 1cn(C)nc1NC(=O)N2CCC[CH](C2)C(N)=O; CSc1 cn(C)nc1NC(=O)N2CCC[C@@H](C2)C(N)=O |
(3S)-N~1~-[1-methyl-4-(methylsulfanyl)-1H-pyrazol-3-yl]piperidine-1,3-dicarboxamide |
| 13616 | A1B2U | 1 | C12 H20 N2 O2 S | InChI=1S/C12H20N2O2S/c13- 11(15)10-2-1-5-14(8-10)12 (16)9-3-6-17-7-4-9/h9-10H ,1-8H2,(H2,13,15)/t10-/m0 /s1; OJBHGPGRQLLRTQ-JTQLQIEISA-N |
C1CC(CN(C1)C(=O)C2CCSCC2)C(=O)N; NC(=O)[ CH]1CCCN(C1)C(=O)C2CCSCC2; C1C[C@@H](CN( C1)C(=O)C2CCSCC2)C(=O)N; O=C(N1CCCC(C1)C (N)=O)C1CCSCC1; NC(=O)[C@H]1CCCN(C1)C(=O )C2CCSCC2 |
(3S)-1-(thiane-4-carbonyl)piperidine-3-carboxamide |
| 13617 | A1B2V | 1 | C11 H18 N2 O2 S | InChI=1S/C11H18N2O2S/c12- 11(15)9-2-1-3-13(5-9)10(1 4)4-8-6-16-7-8/h8-9H,1-7H 2,(H2,12,15)/t9-/m0/s1; BKTQIMHCVRWPFO-VIFPVBQESA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)CC2CSC2; O=C(CC 1CSC1)N1CC(CCC1)C(N)=O; C1CC(CN(C1)C(=O) CC2CSC2)C(=O)N; C1C[C@@H](CN(C1)C(=O)CC2 CSC2)C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O)CC2 CSC2 |
(3S)-1-[(thietan-3-yl)acetyl]piperidine-3-carboxamide |
| 13618 | A1B2W | 1 | C12 H20 N2 O3 S | InChI=1S/C12H20N2O3S/c13- 10(15)9-2-1-5-14(8-9)11(1 6)12(17)3-6-18-7-4-12/h9, 17H,1-8H2,(H2,13,15)/t9-/ m0/s1; JBKFOLYWCBQWFH-VIFPVBQESA-N |
O=C(N1CCCC(C1)C(N)=O)C1(O)CCSCC1; NC(=O) [C@H]1CCCN(C1)C(=O)C2(O)CCSCC2; NC(=O)[C H]1CCCN(C1)C(=O)C2(O)CCSCC2; C1CC(CN(C1) C(=O)C2(CCSCC2)O)C(=O)N; C1C[C@@H](CN(C1 )C(=O)C2(CCSCC2)O)C(=O)N |
(3S)-1-(4-hydroxythiane-4-carbonyl)piperidine-3-carboxamide |
| 13619 | A1B2X | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-4-2-3-10(7-12)8-16-9 -11(14(15)18)5-6-13(16)17 /h2-4,7,11H,5-6,8-9H2,1H3 ,(H2,15,18)/t11-/m0/s1; ZJIYWYXPZXQCRR-NSHDSACASA-N |
CSc1cccc(CN2C[CH](CCC2=O)C(N)=O)c1; NC(= O)C1CCC(=O)N(Cc2cc(SC)ccc2)C1; CSc1cccc( CN2C[C@@H](CCC2=O)C(N)=O)c1; CSc1cccc(c1 )CN2CC(CCC2=O)C(=O)N; CSc1cccc(c1)CN2C[C @@H](CCC2=O)C(=O)N |
(3S)-1-{[3-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide |
| 13620 | A1B2Y | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-4-2-3-10(7-12)8-16-9 -11(14(15)18)5-6-13(16)17 /h2-4,7,11H,5-6,8-9H2,1H3 ,(H2,15,18)/t11-/m0/s1; ZJIYWYXPZXQCRR-NSHDSACASA-N |
CSc1cccc(CN2C[C@H](CCC2=O)C(N)=O)c1; CSc 1cccc(CN2C[CH](CCC2=O)C(N)=O)c1; NC(=O)C 1CCC(=O)N(Cc2cc(SC)ccc2)C1; CSc1cccc(c1) CN2CC(CCC2=O)C(=O)N; CSc1cccc(c1)CN2C[C@ H](CCC2=O)C(=O)N |
(3S)-1-{[3-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide |
| 13621 | A1B2Z | 1 | C15 H21 N3 O2 S | InChI=1S/C15H21N3O2S/c1-1 7(12-7-3-4-8-13(12)21-2)1 5(20)18-9-5-6-11(10-18)14 (16)19/h3-4,7-8,11H,5-6,9 -10H2,1-2H3,(H2,16,19)/t1 1-/m0/s1; ZLXAWJCPNCQXOK-NSHDSACASA-N |
O=C(N(C)c1ccccc1SC)N1CCCC(C1)C(N)=O; CN( c1ccccc1SC)C(=O)N2CCC[C@@H](C2)C(=O)N; C N(c1ccccc1SC)C(=O)N2CCCC(C2)C(=O)N; CSc1 ccccc1N(C)C(=O)N2CCC[CH](C2)C(N)=O; CSc1 ccccc1N(C)C(=O)N2CCC[C@@H](C2)C(N)=O |
(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide |
| 13622 | A1B30 | 1 | C16 H20 F3 N3 O3 | InChI=1S/C16H20F3N3O3/c1- 21(15(24)22-7-3-4-10(9-22 )14(20)23)12-8-11(16(17,1 8)19)5-6-13(12)25-2/h5-6, 8,10H,3-4,7,9H2,1-2H3,(H2 ,20,23)/t10-/m0/s1; OWHZNNVHZNXEAS-JTQLQIEISA-N |
CN(c1cc(ccc1OC)C(F)(F)F)C(=O)N2CCCC(C2)C (=O)N; COc1ccc(cc1N(C)C(=O)N2CCC[CH](C2) C(N)=O)C(F)(F)F; CN(c1cc(ccc1OC)C(F)(F)F )C(=O)N2CCC[C@@H](C2)C(=O)N; COc1ccc(cc1 N(C)C(=O)N2CCC[C@@H](C2)C(N)=O)C(F)(F)F; O=C(N(C)c1cc(ccc1OC)C(F)(F)F)N1CCCC(C1) C(N)=O |
(3S)-N~1~-[2-methoxy-5-(trifluoromethyl)phenyl]-N~1~-methylpiperidine-1,3-dicarboxamide |
| 13623 | A1B31 | 1 | C16 H21 Br N2 O4 | InChI=1S/C16H21BrN2O4/c1- 22-13-6-11(12(17)8-14(13) 23-2)7-15(20)19-5-3-4-10( 9-19)16(18)21/h6,8,10H,3- 5,7,9H2,1-2H3,(H2,18,21)/ t10-/m0/s1; ZBONZJXUIMFIHW-JTQLQIEISA-N |
COc1cc(c(cc1OC)Br)CC(=O)N2CCC[C@@H](C2)C (=O)N; COc1cc(Br)c(CC(=O)N2CCC[C@@H](C2) C(N)=O)cc1OC; COc1cc(c(cc1OC)Br)CC(=O)N2 CCCC(C2)C(=O)N; COc1cc(Br)c(CC(=O)N2CCC[ CH](C2)C(N)=O)cc1OC; O=C(Cc1cc(OC)c(OC)c c1Br)N1CCCC(C1)C(N)=O |
(3S)-1-[(2-bromo-4,5-dimethoxyphenyl)acetyl]piperidine-3-carboxamide |
| 13624 | A1B32 | 18 | C33 H39 N O9 | InChI=1S/C33H39NO9/c1-31- 11-10-24(42-29(38)18-8-9- 18)32(2,16-40-28(37)17-6- 7-17)22(31)14-23(35)33(3) 27(31)26(36)25-21(43-33)1 3-20(41-30(25)39)19-5-4-1 2-34-15-19/h4-5,12-13,15, 17-18,22-24,26-27,35-36H, 6-11,14,16H2,1-3H3/t22-,2 3-,24-,26-,27+,31-,32-,33 +/m0/s1; LRZWFURXIMFONG-DMXQBELCSA-N |
C[C@]12CC[C@@H]([C@@]([C@H]1C[C@@H]([C@@ ]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccn c5)O)C)O)(C)COC(=O)C6CC6)OC(=O)C7CC7; C[ C]12CC[CH](OC(=O)C3CC3)[C](C)(COC(=O)C4C C4)[CH]1C[CH](O)[C]5(C)OC6=C([CH](O)[CH] 25)C(=O)OC(=C6)c7cccnc7; C[C@]12CC[C@H]( OC(=O)C3CC3)[C@@](C)(COC(=O)C4CC4)[C@H]1 C[C@H](O)[C@@]5(C)OC6=C([C@H](O)[C@H]25) C(=O)OC(=C6)c7cccnc7; O=C1OC(=CC=2OC3(C) C(O)CC4C(C)(COC(=O)C5CC5)C(CCC4(C)C3C(O) C=21)OC(=O)C1CC1)c1cccnc1; CC12CCC(C(C1C C(C3(C2C(C4=C(O3)C=C(OC4=O)c5cccnc5)O)C) O)(C)COC(=O)C6CC6)OC(=O)C7CC7 |
Afidopyropen |
| 13625 | A1B33 | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-7-3-2-6-11(12)14(18) 16-8-4-5-10(9-16)13(15)17 /h2-3,6-7,10H,4-5,8-9H2,1 H3,(H2,15,17)/t10-/m0/s1; YOUXGCKURFHYGE-JTQLQIEISA-N |
CSc1ccccc1C(=O)N2CCC[C@@H](C2)C(=O)N; O= C(c1ccccc1SC)N1CCCC(C1)C(N)=O; CSc1ccccc 1C(=O)N2CCCC(C2)C(=O)N; CSc1ccccc1C(=O)N 2CCC[CH](C2)C(N)=O; CSc1ccccc1C(=O)N2CCC [C@@H](C2)C(N)=O |
(3S)-1-[2-(methylsulfanyl)benzoyl]piperidine-3-carboxamide |
| 13626 | A1B34 | 1 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c16-1 5(20)11-4-5-14(19)18(9-11 )8-10-2-1-3-13-12(10)6-7- 17-13/h1-3,6-7,11,17H,4-5 ,8-9H2,(H2,16,20)/t11-/m0 /s1; ZFXTXOZEQPVJKQ-NSHDSACASA-N |
c1cc(c2cc[nH]c2c1)CN3C[C@H](CCC3=O)C(=O) N; NC(=O)[C@H]1CCC(=O)N(C1)Cc2cccc3[nH]c cc23; NC(=O)C1CCC(=O)N(Cc2cccc3[NH]ccc23 )C1; c1cc(c2cc[nH]c2c1)CN3CC(CCC3=O)C(=O )N; NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3[nH]c cc23 |
(3S)-1-[(1H-indol-4-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13627 | A1B35 | 1 | C13 H17 N3 O2 S | InChI=1S/C13H17N3O2S/c1-1 9-11-5-3-2-4-10(11)15-13( 18)16-7-6-9(8-16)12(14)17 /h2-5,9H,6-8H2,1H3,(H2,14 ,17)(H,15,18)/t9-/m0/s1; RUITYHVLQKGYIF-VIFPVBQESA-N |
CSc1ccccc1NC(=O)N2CC[CH](C2)C(N)=O; CSc1 ccccc1NC(=O)N2CCC(C2)C(=O)N; CSc1ccccc1N C(=O)N2CC[C@@H](C2)C(=O)N; CSc1ccccc1NC( =O)N2CC[C@@H](C2)C(N)=O; O=C(N)C1CCN(C1) C(=O)Nc1ccccc1SC |
(3S)-N~1~-[2-(methylsulfanyl)phenyl]pyrrolidine-1,3-dicarboxamide |
| 13628 | A1B36 | 1 | C14 H17 Br N2 O2 S | InChI=1S/C14H17BrN2O2S/c1 -20-12-3-2-11(15)6-10(12) 7-13(18)17-5-4-9(8-17)14( 16)19/h2-3,6,9H,4-5,7-8H2 ,1H3,(H2,16,19)/t9-/m0/s1; AZKVXQCFORNMSH-VIFPVBQESA-N |
CSc1ccc(cc1CC(=O)N2CCC(C2)C(=O)N)Br; CSc 1ccc(Br)cc1CC(=O)N2CC[CH](C2)C(N)=O; CSc 1ccc(Br)cc1CC(=O)N2CC[C@@H](C2)C(N)=O; C Sc1ccc(cc1CC(=O)N2CC[C@@H](C2)C(=O)N)Br; O=C(N)C1CCN(C1)C(=O)Cc1cc(Br)ccc1SC |
(3S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}pyrrolidine-3-carboxamide |
| 13629 | A1B38 | 2 | C12 H18 N4 O2 | InChI=1S/C12H18N4O2/c1-8( 10-4-5-14-15-10)12(18)16- 6-2-3-9(7-16)11(13)17/h4- 5,8-9H,2-3,6-7H2,1H3,(H2, 13,17)(H,14,15)/t8-,9-/m0 /s1; RXLSVIOBXFEABB-IUCAKERBSA-N |
C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2[nH]ncc 2; C[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2[ nH]ncc2; CC(c1ccn[nH]1)C(=O)N2CCCC(C2)C( =O)N; C[C@@H](c1ccn[nH]1)C(=O)N2CCC[C@@H ](C2)C(=O)N; O=C(C(C)c1ccn[NH]1)N1CCCC(C 1)C(N)=O |
(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide |
| 13630 | A1B39 | 2 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c16-1 5(20)12-2-4-14(19)18(9-12 )8-10-1-3-13-11(7-10)5-6- 17-13/h1,3,5-7,12,17H,2,4 ,8-9H2,(H2,16,20)/t12-/m0 /s1; RHJKYYVBPJDBPQ-LBPRGKRZSA-N |
c1cc2c(cc[nH]2)cc1CN3C[C@H](CCC3=O)C(=O) N; NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccc3[nH]cc c3c2; NC(=O)[CH]1CCC(=O)N(C1)Cc2ccc3[nH] ccc3c2; c1cc2c(cc[nH]2)cc1CN3CC(CCC3=O)C (=O)N; NC(=O)C1CCC(=O)N(Cc2cc3cc[NH]c3cc 2)C1 |
(3S)-1-[(1H-indol-5-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13631 | A1B3A | 1 | C14 H20 N2 O3 S2 | InChI=1S/C14H20N2O3S2/c1- 20-13-7-3-2-5-11(13)9-14( 17)16-8-4-6-12(10-16)21(1 5,18)19/h2-3,5,7,12H,4,6, 8-10H2,1H3,(H2,15,18,19)/ t12-/m0/s1; IJMORUNSZSDHCA-LBPRGKRZSA-N |
CSc1ccccc1CC(=O)N2CCC[C@@H](C2)[S](N)(=O )=O; O=C(Cc1ccccc1SC)N1CCCC(C1)S(N)(=O)= O; CSc1ccccc1CC(=O)N2CCCC(C2)S(=O)(=O)N; CSc1ccccc1CC(=O)N2CCC[C@@H](C2)S(=O)(=O )N; CSc1ccccc1CC(=O)N2CCC[CH](C2)[S](N)( =O)=O |
(3S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-sulfonamide |
| 13632 | A1B3B | 2 | C27 H26 Cl F4 N5 O3 | InChI=1S/C27H26ClF4N5O3/c 1-14(2)22(36-26(40)27(30, 31)32)24(38)35-21-13-37(7 -5-19(21)16-8-17(28)10-18 (29)9-16)25(39)20-12-33-1 1-15-4-3-6-34-23(15)20/h3 -4,6,8-12,14,19,21-22H,5, 7,13H2,1-2H3,(H,35,38)(H, 36,40)/t19-,21+,22+/m0/s1; SZDAKPLAFVWDHB-KSEOMHKRSA-N |
CC(C)[C@H](C(=O)N[C@@H]1CN(CC[C@H]1c2cc( cc(c2)Cl)F)C(=O)c3cncc4c3nccc4)NC(=O)C(F )(F)F; O=C(c1cncc2cccnc21)N1CCC(C(NC(=O) C(NC(=O)C(F)(F)F)C(C)C)C1)c1cc(F)cc(Cl)c 1; CC(C)C(C(=O)NC1CN(CCC1c2cc(cc(c2)Cl)F )C(=O)c3cncc4c3nccc4)NC(=O)C(F)(F)F; CC( C)[CH](NC(=O)C(F)(F)F)C(=O)N[CH]1CN(CC[C H]1c2cc(F)cc(Cl)c2)C(=O)c3cncc4cccnc34; CC(C)[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1 CN(CC[C@H]1c2cc(F)cc(Cl)c2)C(=O)c3cncc4c ccnc34 |
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(1,6-naphthyridine-8-carbonyl)piperidin-3-yl]-N~2~-(trifluoroacetyl)-D-valinamide |
| 13633 | A1B3C | 1 | C15 H19 F2 N O S | InChI=1S/C15H19F2NOS/c1-2 0-13-7-3-2-5-11(13)9-14(1 9)18-8-4-6-12(10-18)15(16 )17/h2-3,5,7,12,15H,4,6,8 -10H2,1H3/t12-/m0/s1; GOYPQPVBNWXXPJ-LBPRGKRZSA-N |
CSc1ccccc1CC(=O)N2CCC[CH](C2)C(F)F; CSc1 ccccc1CC(=O)N2CCC[C@@H](C2)C(F)F; O=C(Cc 1ccccc1SC)N1CCCC(C1)C(F)F; CSc1ccccc1CC( =O)N2CCCC(C2)C(F)F |
1-[(3S)-3-(difluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13634 | A1B3D | 1 | C14 H18 N2 O3 S | InChI=1S/C14H18N2O3S/c1-2 0-12-5-3-2-4-10(12)8-13(1 7)16-6-7-19-11(9-16)14(15 )18/h2-5,11H,6-9H2,1H3,(H 2,15,18)/t11-/m0/s1; CBMRPEIYSTUDMN-NSHDSACASA-N |
CSc1ccccc1CC(=O)N2CCO[C@@H](C2)C(=O)N; C Sc1ccccc1CC(=O)N2CCO[C@@H](C2)C(N)=O; O= C(Cc1ccccc1SC)N1CC(OCC1)C(N)=O; CSc1cccc c1CC(=O)N2CCOC(C2)C(=O)N; CSc1ccccc1CC(= O)N2CCO[CH](C2)C(N)=O |
(2S)-4-{[2-(methylsulfanyl)phenyl]acetyl}morpholine-2-carboxamide |
| 13635 | A1B3E | 1 | C15 H20 F N O S | InChI=1S/C15H20FNOS/c1-19 -14-7-3-2-6-13(14)9-15(18 )17-8-4-5-12(10-16)11-17/ h2-3,6-7,12H,4-5,8-11H2,1 H3/t12-/m1/s1; CCVZZJFVCZKBEW-GFCCVEGCSA-N |
CSc1ccccc1CC(=O)N2CCC[C@H](CF)C2; O=C(Cc 1ccccc1SC)N1CCCC(CF)C1; CSc1ccccc1CC(=O) N2CCC[C@@H](C2)CF; CSc1ccccc1CC(=O)N2CCC [CH](CF)C2; CSc1ccccc1CC(=O)N2CCCC(C2)CF |
1-[(3S)-3-(fluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13636 | A1B3F | 1 | C17 H18 N2 O2 S | InChI=1S/C17H18N2O2S/c1-2 2-16-5-3-2-4-12(16)10-17( 21)19-9-7-14-13(11-19)15( 20)6-8-18-14/h2-6,8H,7,9- 11H2,1H3,(H,18,20); DYNBLKMWIHEGPC-UHFFFAOYSA-N |
CSc1ccccc1CC(=O)N1CCc2nccc(O)c2C1; CSc1c cccc1CC(=O)N2CCc3c(c(ccn3)O)C2; CSc1cccc c1CC(=O)N2CCc3nccc(O)c3C2 |
1-(4-hydroxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13637 | A1B3G | 1 | C15 H19 F N2 O2 S | InChI=1S/C15H19FN2O2S/c1- 21-12-6-3-2-5-11(12)9-13( 19)18-8-4-7-15(16,10-18)1 4(17)20/h2-3,5-6H,4,7-10H 2,1H3,(H2,17,20)/t15-/m1/ s1; VWQRAZBSLICPHQ-OAHLLOKOSA-N |
FC1(CCCN(C1)C(=O)Cc1ccccc1SC)C(N)=O; CSc 1ccccc1CC(=O)N2CCCC(C2)(C(=O)N)F; CSc1cc ccc1CC(=O)N2CCC[C@@](C2)(C(=O)N)F; CSc1c cccc1CC(=O)N2CCC[C](F)(C2)C(N)=O; CSc1cc ccc1CC(=O)N2CCC[C@@](F)(C2)C(N)=O |
(3R)-3-fluoro-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13638 | A1B3H | 1 | C16 H17 N3 O2 S | InChI=1S/C16H17N3O2S/c1-2 2-14-5-3-2-4-11(14)8-15(2 0)19-7-6-13-12(9-19)16(21 )18-10-17-13/h2-5,10H,6-9 H2,1H3,(H,17,18,21); AETMPRGAEUVJPB-UHFFFAOYSA-N |
CSc1ccccc1CC(=O)N1CCC=2N=CNC(=O)C=2C1; C Sc1ccccc1CC(=O)N2CCC3=C(C2)C(=O)NC=N3 |
6-{[2-(methylsulfanyl)phenyl]acetyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| 13639 | A1B3I | 1 | C13 H18 N4 O2 S | InChI=1S/C13H18N4O2S/c1-2 0-13-10(15-4-5-16-13)7-11 (18)17-6-2-3-9(8-17)12(14 )19/h4-5,9H,2-3,6-8H2,1H3 ,(H2,14,19)/t9-/m0/s1; WUSGUAGFFPWQJA-VIFPVBQESA-N |
CSc1nccnc1CC(=O)N2CCC[C@@H](C2)C(N)=O; C Sc1c(nccn1)CC(=O)N2CCCC(C2)C(=O)N; CSc1c (nccn1)CC(=O)N2CCC[C@@H](C2)C(=O)N; CSc1 nccnc1CC(=O)N2CCC[CH](C2)C(N)=O; O=C(Cc1 nccnc1SC)N1CCCC(C1)C(N)=O |
(3S)-1-{[3-(methylsulfanyl)pyrazin-2-yl]acetyl}piperidine-3-carboxamide |
| 13640 | A1B3J | 1 | C15 H17 F3 N2 O3 S | InChI=1S/C15H17F3N2O3S/c1 -23-11-3-2-10(15(16,17)18 )6-9(11)7-13(21)20-4-5-24 -12(8-20)14(19)22/h2-3,6, 12H,4-5,7-8H2,1H3,(H2,19, 22); DNENLOCKKIRGNY-UHFFFAOYSA-N |
COc1ccc(cc1CC(=O)N2CCSC(C2)C(=O)N)C(F)(F )F; COc1ccc(cc1CC(=O)N2CCS[C@H](C2)C(=O) N)C(F)(F)F; COc1ccc(cc1CC(=O)N2CCS[C@H]( C2)C(N)=O)C(F)(F)F; COc1ccc(cc1CC(=O)N2C CS[CH](C2)C(N)=O)C(F)(F)F; O=C(Cc1cc(ccc 1OC)C(F)(F)F)N1CC(SCC1)C(N)=O |
(2S)-4-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}thiomorpholine-2-carboxamide |
| 13641 | A1B3K | 1 | C15 H17 F3 N2 O3 S | InChI=1S/C15H17F3N2O3S/c1 -23-11-3-2-10(15(16,17)18 )6-9(11)7-13(21)20-4-5-24 -12(8-20)14(19)22/h2-3,6, 12H,4-5,7-8H2,1H3,(H2,19, 22)/t12-/m0/s1; DNENLOCKKIRGNY-LBPRGKRZSA-N |
COc1ccc(cc1CC(=O)N2CCSC(C2)C(=O)N)C(F)(F )F; COc1ccc(cc1CC(=O)N2CCS[C@@H](C2)C(=O )N)C(F)(F)F; COc1ccc(cc1CC(=O)N2CCS[C@@H ](C2)C(N)=O)C(F)(F)F; COc1ccc(cc1CC(=O)N 2CCS[CH](C2)C(N)=O)C(F)(F)F; O=C(Cc1cc(c cc1OC)C(F)(F)F)N1CC(SCC1)C(N)=O |
(2S)-4-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}thiomorpholine-2-carboxamide |
| 13642 | A1B3L | 1 | C12 H20 N2 O2 S2 | InChI=1S/C12H20N2O2S2/c13 -12(16)9-2-1-3-14(7-9)11( 15)6-10-8-17-4-5-18-10/h9 -10H,1-8H2,(H2,13,16)/t9- ,10+/m0/s1; KOQMCRODGRBJEU-VHSXEESVSA-N |
NC(=O)[CH]1CCCN(C1)C(=O)C[CH]2CSCCS2; C1 CC(CN(C1)C(=O)CC2CSCCS2)C(=O)N; C1C[C@@H ](CN(C1)C(=O)C[C@@H]2CSCCS2)C(=O)N; NC(= O)[C@H]1CCCN(C1)C(=O)C[C@@H]2CSCCS2; O=C (CC1CSCCS1)N1CCCC(C1)C(N)=O |
(3S)-1-{[(2R)-1,4-dithian-2-yl]acetyl}piperidine-3-carboxamide |
| 13643 | A1B3M | 1 | C11 H18 N2 O2 S | InChI=1S/C11H18N2O2S/c12- 10(14)8-2-1-4-13(6-8)11(1 5)9-3-5-16-7-9/h8-9H,1-7H 2,(H2,12,14)/t8-,9-/m0/s1; FOWCZQMGYPBKOB-IUCAKERBSA-N |
C1C[C@@H](CN(C1)C(=O)[C@@H]2CCSC2)C(=O)N ; O=C(N1CC(CCC1)C(N)=O)C1CCSC1; NC(=O)[C H]1CCCN(C1)C(=O)[CH]2CCSC2; C1CC(CN(C1)C (=O)C2CCSC2)C(=O)N; NC(=O)[C@H]1CCCN(C1) C(=O)[C@@H]2CCSC2 |
(3S)-1-[(3R)-thiolane-3-carbonyl]piperidine-3-carboxamide |
| 13644 | A1B3N | 1 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-2 1-14-7-3-2-5-11(14)9-15(1 9)18-8-4-6-12-13(18)10-17 -16(12)20/h2-3,5,7,12-13H ,4,6,8-10H2,1H3,(H,17,20) /t12-,13-/m1/s1; NUFYJAWXWSXWTQ-CHWSQXEVSA-N |
CSc1ccccc1CC(=O)N1CCCC2C(=O)NCC21; CSc1c cccc1CC(=O)N2CCC[C@@H]3[C@H]2CNC3=O; CSc 1ccccc1CC(=O)N2CCC[CH]3[CH]2CNC3=O; CSc1 ccccc1CC(=O)N2CCCC3C2CNC3=O |
(4aR,7aS)-1-{[2-(methylsulfanyl)phenyl]acetyl}octahydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| 13645 | A1B3O | 1 | C14 H19 N O2 S | InChI=1S/C14H19NO2S/c1-18 -13-7-3-2-5-11(13)9-14(17 )15-8-4-6-12(16)10-15/h2- 3,5,7,12,16H,4,6,8-10H2,1 H3/t12-/m0/s1; IIOAYFHECFIEIZ-LBPRGKRZSA-N |
OC1CCCN(C1)C(=O)Cc1ccccc1SC; CSc1ccccc1C C(=O)N2CCC[C@@H](C2)O; CSc1ccccc1CC(=O)N 2CCC[CH](O)C2; CSc1ccccc1CC(=O)N2CCCC(C2 )O; CSc1ccccc1CC(=O)N2CCC[C@H](O)C2 |
1-[(3S)-3-hydroxypiperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13646 | A1B3P | 1 | C15 H18 N4 O2 S | InChI=1S/C15H18N4O2S/c1-2 2-12-5-3-2-4-11(12)8-14(2 0)19-7-6-15(21,10-19)13-9 -16-18-17-13/h2-5,9,21H,6 -8,10H2,1H3,(H,16,17,18)/ t15-/m1/s1; SBDJWGHKLQGOOQ-OAHLLOKOSA-N |
CSc1ccccc1CC(=O)N2CC[C@@](O)(C2)c3c[nH]n n3; CSc1ccccc1CC(=O)N1CCC(O)(C1)c1c[NH]n n1; CSc1ccccc1CC(=O)N2CC[C](O)(C2)c3c[nH ]nn3; CSc1ccccc1CC(=O)N2CC[C@@](C2)(c3c[ nH]nn3)O; CSc1ccccc1CC(=O)N2CCC(C2)(c3c[ nH]nn3)O |
1-[(3R)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)pyrrolidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13647 | A1B3Q | 2 | C15 H18 N2 O2 S | InChI=1S/C15H18N2O2S/c16- 14(18)10-4-3-7-17(8-10)15 (19)12-9-20-13-6-2-1-5-11 (12)13/h1-2,5-6,10,12H,3- 4,7-9H2,(H2,16,18)/t10-,1 2-/m0/s1; BHNNBJPWVZNUPG-JQWIXIFHSA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CSc3ccccc 23; NC(=O)C1CCCN(C1)C(=O)C1CSc2ccccc21; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CSc3ccccc23 ; c1ccc2c(c1)C(CS2)C(=O)N3CCCC(C3)C(=O)N ; c1ccc2c(c1)[C@H](CS2)C(=O)N3CCC[C@@H]( C3)C(=O)N |
(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide |
| 13648 | A1B3R | 1 | C16 H23 N O2 S | InChI=1S/C16H23NO2S/c1-20 -15-7-3-2-6-14(15)11-16(1 9)17-9-4-5-13(12-17)8-10- 18/h2-3,6-7,13,18H,4-5,8- 12H2,1H3/t13-/m1/s1; PSOHAIREGZLFPX-CYBMUJFWSA-N |
CSc1ccccc1CC(=O)N2CCC[CH](CCO)C2; CSc1cc ccc1CC(=O)N2CCCC(C2)CCO; O=C(Cc1ccccc1SC )N1CCCC(CCO)C1; CSc1ccccc1CC(=O)N2CCC[C@ @H](C2)CCO; CSc1ccccc1CC(=O)N2CCC[C@H](C CO)C2 |
1-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13649 | A1B3S | 1 | C13 H18 N4 O2 S | InChI=1S/C13H18N4O2S/c1-2 0-11-6-15-8-16-10(11)5-12 (18)17-4-2-3-9(7-17)13(14 )19/h6,8-9H,2-5,7H2,1H3,( H2,14,19)/t9-/m0/s1; STOZPWZNKNIBMH-VIFPVBQESA-N |
CSc1cncnc1CC(=O)N2CCC[C@@H](C2)C(N)=O; C Sc1cncnc1CC(=O)N2CCCC(C2)C(=O)N; CSc1cnc nc1CC(=O)N2CCC[C@@H](C2)C(=O)N; O=C(Cc1n cncc1SC)N1CCCC(C1)C(N)=O; CSc1cncnc1CC(= O)N2CCC[CH](C2)C(N)=O |
(3S)-1-{[5-(methylsulfanyl)pyrimidin-4-yl]acetyl}piperidine-3-carboxamide |
| 13650 | A1B3T | 2 | C14 H18 N2 O3 S | InChI=1S/C14H18N2O3S/c1-2 0-12-7-3-2-6-11(12)19-14( 18)16-8-4-5-10(9-16)13(15 )17/h2-3,6-7,10H,4-5,8-9H 2,1H3,(H2,15,17)/t10-/m0/ s1; JNANTPWUFNHSLU-JTQLQIEISA-N |
CSc1ccccc1OC(=O)N2CCCC(C2)C(=O)N; CSc1cc ccc1OC(=O)N2CCC[C@@H](C2)C(=O)N; CSc1ccc cc1OC(=O)N2CCC[CH](C2)C(N)=O; CSc1ccccc1 OC(=O)N2CCC[C@@H](C2)C(N)=O; NC(=O)C1CCC N(C1)C(=O)Oc1ccccc1SC |
2-(methylsulfanyl)phenyl (3S)-3-carbamoylpiperidine-1-carboxylate |
| 13651 | A1B3U | 2 | C13 H18 N4 O2 S | InChI=1S/C13H18N4O2S/c1-2 0-11-4-5-15-7-10(11)16-13 (19)17-6-2-3-9(8-17)12(14 )18/h4-5,7,9H,2-3,6,8H2,1 H3,(H2,14,18)(H,16,19)/t9 -/m0/s1; BIZUKHNXHJNAGE-VIFPVBQESA-N |
CSc1ccncc1NC(=O)N2CCC[C@@H](C2)C(=O)N; C Sc1ccncc1NC(=O)N2CCC[CH](C2)C(N)=O; O=C( Nc1cnccc1SC)N1CCCC(C1)C(N)=O; CSc1ccncc1 NC(=O)N2CCCC(C2)C(=O)N; CSc1ccncc1NC(=O) N2CCC[C@@H](C2)C(N)=O |
(3S)-N~1~-[4-(methylsulfanyl)pyridin-3-yl]piperidine-1,3-dicarboxamide |
| 13652 | A1B3V | 2 | C14 H19 N3 O2 S | InChI=1S/C14H19N3O2S/c1-2 0-12-4-5-16-8-11(12)7-13( 18)17-6-2-3-10(9-17)14(15 )19/h4-5,8,10H,2-3,6-7,9H 2,1H3,(H2,15,19)/t10-/m0/ s1; ZMOITPIXGZHKCC-JTQLQIEISA-N |
CSc1ccncc1CC(=O)N2CCC[C@@H](C2)C(=O)N; C Sc1ccncc1CC(=O)N2CCC[CH](C2)C(N)=O; CSc1 ccncc1CC(=O)N2CCCC(C2)C(=O)N; O=C(Cc1cnc cc1SC)N1CCCC(C1)C(N)=O; CSc1ccncc1CC(=O) N2CCC[C@@H](C2)C(N)=O |
(3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide |
| 13653 | A1B3W | 4 | C14 H17 Cl N2 O4 | InChI=1S/C14H17ClN2O4/c1- 20-11-5-4-10(15)7-12(11)2 1-14(19)17-6-2-3-9(8-17)1 3(16)18/h4-5,7,9H,2-3,6,8 H2,1H3,(H2,16,18)/t9-/m0/ s1; RWZFWMWMIABRNY-VIFPVBQESA-N |
COc1ccc(cc1OC(=O)N2CCC[C@@H](C2)C(=O)N)C l; NC(=O)C1CCCN(C1)C(=O)Oc1cc(Cl)ccc1OC; COc1ccc(cc1OC(=O)N2CCCC(C2)C(=O)N)Cl; C Oc1ccc(Cl)cc1OC(=O)N2CCC[C@@H](C2)C(N)=O ; COc1ccc(Cl)cc1OC(=O)N2CCC[CH](C2)C(N)= O |
5-chloro-2-methoxyphenyl (3S)-3-carbamoylpiperidine-1-carboxylate |
| 13654 | A1B3X | 1 | C17 H21 N3 O3 | InChI=1S/C17H21N3O3/c1-11 (21)20-14-7-3-2-5-12(14)9 -15(20)17(23)19-8-4-6-13( 10-19)16(18)22/h2-3,5,7,1 3,15H,4,6,8-10H2,1H3,(H2, 18,22)/t13-,15?/m0/s1; NNSQUXOVPSSSEM-CFMCSPIPSA-N |
CC(=O)N1c2ccccc2CC1C(=O)N3CCCC(C3)C(=O)N ; CC(=O)N1[C@H](Cc2ccccc12)C(=O)N3CCC[C@ @H](C3)C(N)=O; CC(=O)N1[CH](Cc2ccccc12)C (=O)N3CCC[CH](C3)C(N)=O; O=C(C1Cc2ccccc2 N1C(C)=O)N1CCCC(C1)C(N)=O; CC(=O)N1c2ccc cc2C[C@@H]1C(=O)N3CCC[C@@H](C3)C(=O)N |
(3S)-1-[(2S)-1-acetyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| 13655 | A1B3Y | 2 | C15 H18 N4 O2 | InChI=1S/C15H18N4O2/c1-18 -13-6-10(2-3-11(13)7-17-1 8)8-19-9-12(15(16)21)4-5- 14(19)20/h2-3,6-7,12H,4-5 ,8-9H2,1H3,(H2,16,21)/t12 -/m0/s1; ICAOAIIRHBCCAZ-LBPRGKRZSA-N |
Cn1c2cc(ccc2cn1)CN3CC(CCC3=O)C(=O)N; Cn1 ncc2ccc(CN3C[CH](CCC3=O)C(N)=O)cc12; Cn1 c2cc(ccc2cn1)CN3C[C@H](CCC3=O)C(=O)N; Cn 1ncc2ccc(CN3C[C@H](CCC3=O)C(N)=O)cc12; N C(=O)C1CCC(=O)N(C1)Cc1ccc2cnn(C)c2c1 |
(3S)-1-[(1-methyl-1H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13656 | A1B3Z | 1 | C15 H19 N3 O3 | InChI=1S/C15H19N3O3/c16-1 4(20)11-5-3-7-18(9-11)13( 19)8-10-4-1-2-6-12(10)15( 17)21/h1-2,4,6,11H,3,5,7- 9H2,(H2,16,20)(H2,17,21)/ t11-/m0/s1; KSEBAGNDQOTDCD-NSHDSACASA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O ; NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C(N)= O; c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)C(= O)N; c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(= O)N)C(=O)N; O=C(Cc1ccccc1C(N)=O)N1CCCC(C 1)C(N)=O |
(3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-3-carboxamide |
| 13657 | A1B40 | 1 | C15 H18 N2 O2 S | InChI=1S/C15H18N2O2S/c1-2 0-12-5-3-2-4-10(12)6-13(1 8)17-8-11-7-15(11,9-17)14 (16)19/h2-5,11H,6-9H2,1H3 ,(H2,16,19)/t11-,15-/m0/s 1; AOZJVCFGWITQNR-NHYWBVRUSA-N |
CSc1ccccc1CC(=O)N2CC3CC3(C2)C(=O)N; CSc1 ccccc1CC(=O)N2C[CH]3C[C]3(C2)C(N)=O; CSc 1ccccc1CC(=O)N2C[C@@H]3C[C@@]3(C2)C(=O)N ; O=C(Cc1ccccc1SC)N1CC2CC2(C1)C(N)=O; CS c1ccccc1CC(=O)N2C[C@@H]3C[C@@]3(C2)C(N)= O |
(1R,5R)-3-{[2-(methylsulfanyl)phenyl]acetyl}-3-azabicyclo[3.1.0]hexane-1-carboxamide |
| 13658 | A1B42 | 2 | C18 H24 N4 O3 S | InChI=1S/C18H24N4O3S/c1-2 6-15-7-6-13(22-9-3-5-16(2 2)23)10-14(15)20-18(25)21 -8-2-4-12(11-21)17(19)24/ h6-7,10,12H,2-5,8-9,11H2, 1H3,(H2,19,24)(H,20,25)/t 12-/m0/s1; BFTJLJDSJHXUFC-LBPRGKRZSA-N |
CSc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)N 3CCCC3=O; O=C(Nc1cc(ccc1SC)N1CCCC1=O)N1C CCC(C1)C(N)=O; CSc1ccc(cc1NC(=O)N2CCCC(C 2)C(=O)N)N3CCCC3=O; CSc1ccc(cc1NC(=O)N2C CC[CH](C2)C(N)=O)N3CCCC3=O; CSc1ccc(cc1N C(=O)N2CCC[C@@H](C2)C(N)=O)N3CCCC3=O |
(3S)-N~1~-[2-(methylsulfanyl)-5-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1,3-dicarboxamide |
| 13659 | A1B43 | 1 | C13 H18 N4 O2 | InChI=1S/C13H18N4O2/c1-16 -6-8(5-15-16)2-12(18)17-7 -10(13(14)19)3-9-4-11(9)1 7/h5-6,9-11H,2-4,7H2,1H3, (H2,14,19)/t9?,10-,11+/m0 /s1; RWVQDFULFQCOIU-QXXIUIOUSA-N |
Cn1cc(cn1)CC(=O)N2C[C@H](C[C@@H]3[C@H]2C 3)C(=O)N; O=C(Cc1cn(C)nc1)N1CC(CC2CC21)C (N)=O; Cn1cc(cn1)CC(=O)N2CC(CC3C2C3)C(=O )N; Cn1cc(CC(=O)N2C[C@H](C[C@H]3C[C@@H]2 3)C(N)=O)cn1; Cn1cc(CC(=O)N2C[CH](C[CH]3 C[CH]23)C(N)=O)cn1 |
(1S,4S,6R)-2-[(1-methyl-1H-pyrazol-4-yl)acetyl]-2-azabicyclo[4.1.0]heptane-4-carboxamide |
| 13660 | A1B44 | 1 | C14 H16 N4 O2 | InChI=1S/C14H16N4O2/c1-17 -12-5-3-2-4-10(12)11(16-1 7)6-13(19)18-7-9(8-18)14( 15)20/h2-5,9H,6-8H2,1H3,( H2,15,20); IHURMLZWIOZVMJ-UHFFFAOYSA-N |
Cn1c2ccccc2c(n1)CC(=O)N3CC(C3)C(=O)N; Cn 1nc(CC(=O)N2CC(C2)C(N)=O)c3ccccc13; NC(= O)C1CN(C1)C(=O)Cc1nn(C)c2ccccc21 |
1-[(1-methyl-1H-indazol-3-yl)acetyl]azetidine-3-carboxamide |
| 13661 | A1B45 | 1 | C11 H14 N2 O2 S2 | InChI=1S/C11H14N2O2S2/c1- 16-9-6-17-5-7(9)2-10(14)1 3-3-8(4-13)11(12)15/h5-6, 8H,2-4H2,1H3,(H2,12,15); BRDCNNNQSVGRBN-UHFFFAOYSA-N |
CSc1cscc1CC(=O)N2CC(C2)C(N)=O; CSc1cscc1 CC(=O)N2CC(C2)C(=O)N; CSc1cscc1CC(=O)N1C C(C1)C(N)=O |
1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}azetidine-3-carboxamide |
| 13662 | A1B46 | 2 | C15 H19 N3 O2 | InChI=1S/C15H19N3O2/c1-2- 12-6-3-7-13(17-12)9-14(19 )18-8-4-5-11(10-18)15(16) 20/h2-3,6-7,11H,1,4-5,8-1 0H2,(H2,16,20)/t11-/m0/s1; BMEGHVOHSIRYBH-NSHDSACASA-N |
C=Cc1cccc(n1)CC(=O)N2CCCC(C2)C(=O)N; NC( =O)[CH]1CCCN(C1)C(=O)Cc2cccc(C=C)n2; NC( =O)[C@H]1CCCN(C1)C(=O)Cc2cccc(C=C)n2; O= C(Cc1cccc(C=C)n1)N1CCCC(C1)C(N)=O; C=Cc1 cccc(n1)CC(=O)N2CCC[C@@H](C2)C(=O)N |
(3S)-1-[(6-ethenylpyridin-2-yl)acetyl]piperidine-3-carboxamide |
| 13663 | A1B47 | 1 | C15 H19 N3 O2 | InChI=1S/C15H19N3O2/c1-2- 13-11(5-3-7-17-13)9-14(19 )18-8-4-6-12(10-18)15(16) 20/h2-3,5,7,12H,1,4,6,8-1 0H2,(H2,16,20)/t12-/m0/s1; LWVTYFMYDOBVLG-LBPRGKRZSA-N |
C=Cc1c(cccn1)CC(=O)N2CCC[C@@H](C2)C(=O)N ; C=Cc1c(cccn1)CC(=O)N2CCCC(C2)C(=O)N; O =C(Cc1cccnc1C=C)N1CCCC(C1)C(N)=O; NC(=O) [CH]1CCCN(C1)C(=O)Cc2cccnc2C=C; NC(=O)[C @H]1CCCN(C1)C(=O)Cc2cccnc2C=C |
(3S)-1-[(2-ethenylpyridin-3-yl)acetyl]piperidine-3-carboxamide |
| 13664 | A1B48 | 2 | C17 H24 N4 O2 S | InChI=1S/C17H24N4O2S/c1-2 4-16-14(9-11-5-2-3-7-13(1 1)19-16)20-17(23)21-8-4-6 -12(10-21)15(18)22/h9,12H ,2-8,10H2,1H3,(H2,18,22)( H,20,23)/t12-/m0/s1; CTFZKMLNMWYZII-LBPRGKRZSA-N |
CSc1c(cc2c(n1)CCCC2)NC(=O)N3CCCC(C3)C(=O )N; CSc1c(cc2c(n1)CCCC2)NC(=O)N3CCC[C@@H ](C3)C(=O)N; CSc1nc2CCCCc2cc1NC(=O)N3CCC [C@@H](C3)C(N)=O; CSc1nc2CCCCc2cc1NC(=O) N3CCC[CH](C3)C(N)=O; O=C(Nc1cc2CCCCc2nc1 SC)N1CCCC(C1)C(N)=O |
(3S)-N~1~-[2-(methylsulfanyl)-5,6,7,8-tetrahydroquinolin-3-yl]piperidine-1,3-dicarboxamide |
| 13665 | A1B49 | 2 | C14 H18 N2 O3 | InChI=1S/C14H18N2O3/c1-19 -12-4-2-3-10(7-12)8-16-9- 11(14(15)18)5-6-13(16)17/ h2-4,7,11H,5-6,8-9H2,1H3, (H2,15,18)/t11-/m0/s1; XEGDUXBUYNOVQA-NSHDSACASA-N |
COc1cccc(c1)CN2C[C@H](CCC2=O)C(=O)N; COc 1cccc(CN2C[C@H](CCC2=O)C(N)=O)c1; NC(=O) C1CCC(=O)N(Cc2cc(OC)ccc2)C1; COc1cccc(c1 )CN2CC(CCC2=O)C(=O)N; COc1cccc(CN2C[CH]( CCC2=O)C(N)=O)c1 |
(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide |
| 13666 | A1B4A | 2 | C14 H18 N2 O2 S2 | InChI=1S/C14H18N2O2S2/c15 -13(17)9-2-1-5-16(8-9)14( 18)12-10-3-6-19-11(10)4-7 -20-12/h3,6,9,12H,1-2,4-5 ,7-8H2,(H2,15,17)/t9-,12- /m0/s1; JGVWWHNRUSJGFG-CABZTGNLSA-N |
NC(=O)C1CCCN(C1)C(=O)C1SCCc2sccc12; c1cs c2c1C(SCC2)C(=O)N3CCCC(C3)C(=O)N; NC(=O) [C@H]1CCCN(C1)C(=O)[C@H]2SCCc3sccc23; NC (=O)[CH]1CCCN(C1)C(=O)[CH]2SCCc3sccc23; c1csc2c1[C@H](SCC2)C(=O)N3CCC[C@@H](C3)C (=O)N |
(3S)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperidine-3-carboxamide |
| 13667 | A1B4B | 2 | C14 H15 Br F2 N2 O2 | InChI=1S/C14H15BrF2N2O2/c 15-10-6-12(17)11(16)4-9(1 0)5-13(20)19-3-1-2-8(7-19 )14(18)21/h4,6,8H,1-3,5,7 H2,(H2,18,21)/t8-/m0/s1; YKAJVIMAQQDNPC-QMMMGPOBSA-N |
c1c(c(cc(c1F)F)Br)CC(=O)N2CCC[C@@H](C2)C (=O)N; NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(F)c (F)cc2Br; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc (F)c(F)cc2Br; c1c(c(cc(c1F)F)Br)CC(=O)N2 CCCC(C2)C(=O)N; O=C(Cc1cc(F)c(F)cc1Br)N1 CCCC(C1)C(N)=O |
(3S)-1-[(2-bromo-4,5-difluorophenyl)acetyl]piperidine-3-carboxamide |
| 13668 | A1B4C | 2 | C13 H18 N4 O2 S | InChI=1S/C13H18N4O2S/c1-2 0-12-10(5-2-6-15-12)16-13 (19)17-7-3-4-9(8-17)11(14 )18/h2,5-6,9H,3-4,7-8H2,1 H3,(H2,14,18)(H,16,19)/t9 -/m0/s1; FBDCWTCKYSQXKW-VIFPVBQESA-N |
CSc1ncccc1NC(=O)N2CCC[CH](C2)C(N)=O; CSc 1ncccc1NC(=O)N2CCC[C@@H](C2)C(N)=O; CSc1 c(cccn1)NC(=O)N2CCC[C@@H](C2)C(=O)N; O=C (Nc1cccnc1SC)N1CCCC(C1)C(N)=O; CSc1c(ccc n1)NC(=O)N2CCCC(C2)C(=O)N |
(3S)-N~1~-[2-(methylsulfanyl)pyridin-3-yl]piperidine-1,3-dicarboxamide |
| 13669 | A1B4D | 2 | C16 H22 N2 O2 S | InChI=1S/C16H22N2O2S/c1-1 1-7-13(16(17)20)10-18(9-1 1)15(19)8-12-5-3-4-6-14(1 2)21-2/h3-6,11,13H,7-10H2 ,1-2H3,(H2,17,20)/t11-,13 -/m0/s1; KCUWPJSIVYQWJM-AAEUAGOBSA-N |
CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O; C[C @H]1C[C@@H](CN(C1)C(=O)Cc2ccccc2SC)C(=O) N; CC1CC(CN(C1)C(=O)Cc2ccccc2SC)C(=O)N; CSc1ccccc1CC(=O)N2C[CH](C)C[CH](C2)C(N)= O; CSc1ccccc1CC(=O)N2C[C@@H](C)C[C@@H](C 2)C(N)=O |
(3S,5S)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13670 | A1B4E | 1 | C18 H19 N3 O2 | InChI=1S/C18H19N3O2/c19-1 8(23)15-7-8-17(22)21(12-1 5)11-14-4-1-2-6-16(14)13- 5-3-9-20-10-13/h1-6,9-10, 15H,7-8,11-12H2,(H2,19,23 )/t15-/m0/s1; BENGMPPJNGGMDU-HNNXBMFYSA-N |
c1ccc(c(c1)CN2CC(CCC2=O)C(=O)N)c3cccnc3; c1ccc(c(c1)CN2C[C@H](CCC2=O)C(=O)N)c3cc cnc3; NC(=O)[CH]1CCC(=O)N(C1)Cc2ccccc2c3 cccnc3; NC(=O)C1CCC(=O)N(Cc2ccccc2c2cccn c2)C1; NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccccc2 c3cccnc3 |
(3S)-6-oxo-1-{[(2P)-2-(pyridin-3-yl)phenyl]methyl}piperidine-3-carboxamide |
| 13671 | A1B4F | 1 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-10 -3-2-4-11(7-10)8-16-9-12( 14(15)18)5-6-13(16)17/h2- 4,7,12H,5-6,8-9H2,1H3,(H2 ,15,18)/t12-/m0/s1; UGHGVHZNFADSPL-LBPRGKRZSA-N |
Cc1cccc(CN2C[CH](CCC2=O)C(N)=O)c1; Cc1cc cc(c1)CN2CC(CCC2=O)C(=O)N; Cc1cccc(CN2C[ C@H](CCC2=O)C(N)=O)c1; NC(=O)C1CCC(=O)N( Cc2cc(C)ccc2)C1; Cc1cccc(c1)CN2C[C@H](CC C2=O)C(=O)N |
(3S)-1-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide |
| 13672 | A1B4G | 1 | C15 H17 F N4 O2 | InChI=1S/C15H17FN4O2/c1-8 -18-12-4-3-11(16)10(14(12 )19-8)7-20-6-9(15(17)22)2 -5-13(20)21/h3-4,9H,2,5-7 H2,1H3,(H2,17,22)(H,18,19 )/t9-/m0/s1; CDTVOSIPPPNCHX-VIFPVBQESA-N |
Cc1[nH]c2ccc(F)c(CN3C[C@H](CCC3=O)C(N)=O )c2n1; Cc1[nH]c2ccc(c(c2n1)CN3C[C@H](CCC 3=O)C(=O)N)F; Cc1[nH]c2ccc(F)c(CN3C[CH]( CCC3=O)C(N)=O)c2n1; NC(=O)C1CCC(=O)N(Cc2 c3nc(C)[NH]c3ccc2F)C1; Cc1[nH]c2ccc(c(c2 n1)CN3CC(CCC3=O)C(=O)N)F |
(3S)-1-[(5-fluoro-2-methyl-1H-1,3-benzimidazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13673 | A1B4H | 1 | C13 H16 N2 O2 S | InChI=1S/C13H16N2O2S/c1-1 8-11-5-3-2-4-10(11)15-8-9 (13(14)17)6-7-12(15)16/h2 -5,9H,6-8H2,1H3,(H2,14,17 )/t9-/m0/s1; XFDPKKNIFJSWGV-VIFPVBQESA-N |
CSc1ccccc1N2C[C@H](CCC2=O)C(=O)N; NC(=O) C1CCC(=O)N(C1)c1ccccc1SC; CSc1ccccc1N2C[ CH](CCC2=O)C(N)=O; CSc1ccccc1N2C[C@H](CC C2=O)C(N)=O; CSc1ccccc1N2CC(CCC2=O)C(=O) N |
(3S)-1-[2-(methylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide |
| 13674 | A1B4I | 1 | C13 H15 Cl N2 O2 | InChI=1S/C13H15ClN2O2/c14 -11-3-1-2-9(6-11)7-16-8-1 0(13(15)18)4-5-12(16)17/h 1-3,6,10H,4-5,7-8H2,(H2,1 5,18)/t10-/m0/s1; XCIJOFUOZLCWIY-JTQLQIEISA-N |
c1cc(cc(c1)Cl)CN2CC(CCC2=O)C(=O)N; c1cc( cc(c1)Cl)CN2C[C@H](CCC2=O)C(=O)N; NC(=O) [C@H]1CCC(=O)N(C1)Cc2cccc(Cl)c2; NC(=O)C 1CCC(=O)N(Cc2cc(Cl)ccc2)C1; NC(=O)[CH]1C CC(=O)N(C1)Cc2cccc(Cl)c2 |
(3S)-1-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide |
| 13675 | A1B4J | 1 | C14 H19 N3 O2 S | InChI=1S/C14H19N3O2S/c1-2 0-14-10(4-2-6-16-14)8-12( 18)17-7-3-5-11(9-17)13(15 )19/h2,4,6,11H,3,5,7-9H2, 1H3,(H2,15,19)/t11-/m0/s1; OEHCNOCXCMBJIE-NSHDSACASA-N |
O=C(Cc1cccnc1SC)N1CCCC(C1)C(N)=O; CSc1c( cccn1)CC(=O)N2CCC[C@@H](C2)C(=O)N; CSc1c (cccn1)CC(=O)N2CCCC(C2)C(=O)N; CSc1ncccc 1CC(=O)N2CCC[CH](C2)C(N)=O; CSc1ncccc1CC (=O)N2CCC[C@@H](C2)C(N)=O |
(3S)-1-{[2-(methylsulfanyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide |
| 13676 | A1B4K | 1 | C14 H19 N3 O2 S | InChI=1S/C14H19N3O2S/c1-2 0-12-5-2-6-16-11(12)8-13( 18)17-7-3-4-10(9-17)14(15 )19/h2,5-6,10H,3-4,7-9H2, 1H3,(H2,15,19)/t10-/m0/s1; MYIKGEYXRPOTHW-JTQLQIEISA-N |
CSc1cccnc1CC(=O)N2CCCC(C2)C(=O)N; CSc1cc cnc1CC(=O)N2CCC[C@@H](C2)C(=O)N; CSc1ccc nc1CC(=O)N2CCC[CH](C2)C(N)=O; CSc1cccnc1 CC(=O)N2CCC[C@@H](C2)C(N)=O; O=C(Cc1nccc c1SC)N1CCCC(C1)C(N)=O |
(3S)-1-{[3-(methylsulfanyl)pyridin-2-yl]acetyl}piperidine-3-carboxamide |
| 13677 | A1B4L | 1 | C16 H18 N2 O3 | InChI=1S/C16H18N2O3/c17-1 6(20)13-5-2-7-18(10-13)14 (19)9-12-4-1-3-11-6-8-21- 15(11)12/h1,3-4,6,8,13H,2 ,5,7,9-10H2,(H2,17,20)/t1 3-/m0/s1; UBPLXXDIBAGAQY-ZDUSSCGKSA-N |
c1cc2ccoc2c(c1)CC(=O)N3CCCC(C3)C(=O)N; N C(=O)C1CCCN(C1)C(=O)Cc1cccc2ccoc12; NC(= O)[CH]1CCCN(C1)C(=O)Cc2cccc3ccoc23; NC(= O)[C@H]1CCCN(C1)C(=O)Cc2cccc3ccoc23; c1c c2ccoc2c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N |
(3S)-1-[(1-benzofuran-7-yl)acetyl]piperidine-3-carboxamide |
| 13678 | A1B4N | 2 | C12 H18 N4 O4 S | InChI=1S/C12H18N4O4S/c1-2 0-12-10(5-2-6-14-12)15-21 (18,19)16-7-3-4-9(8-16)11 (13)17/h2,5-6,9,15H,3-4,7 -8H2,1H3,(H2,13,17)/t9-/m 0/s1; BWOXLKDHBJDGAX-VIFPVBQESA-N |
COc1c(cccn1)NS(=O)(=O)N2CCCC(C2)C(=O)N; COc1c(cccn1)NS(=O)(=O)N2CCC[C@@H](C2)C(= O)N; COc1ncccc1N[S](=O)(=O)N2CCC[C@@H](C 2)C(N)=O; COc1ncccc1N[S](=O)(=O)N2CCC[CH ](C2)C(N)=O; O=S(=O)(Nc1cccnc1OC)N1CCCC( C1)C(N)=O |
(3S)-1-[(2-methoxypyridin-3-yl)sulfamoyl]piperidine-3-carboxamide |
| 13679 | A1B4O | 2 | C14 H17 Cl F N3 O2 | InChI=1S/C14H17ClFN3O2/c1 -8(12-10(15)4-5-11(16)18- 12)14(21)19-6-2-3-9(7-19) 13(17)20/h4-5,8-9H,2-3,6- 7H2,1H3,(H2,17,20)/t8-,9- /m0/s1; QEUIIYABWPSJMA-IUCAKERBSA-N |
CC(c1c(ccc(n1)F)Cl)C(=O)N2CCCC(C2)C(=O)N ; C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2nc(F) ccc2Cl; C[C@H](C(=O)N1CCC[C@@H](C1)C(N)= O)c2nc(F)ccc2Cl; C[C@@H](c1c(ccc(n1)F)Cl )C(=O)N2CCC[C@@H](C2)C(=O)N; O=C(C(C)c1n c(F)ccc1Cl)N1CCCC(C1)C(N)=O |
(3S)-1-[(2S)-2-(3-chloro-6-fluoropyridin-2-yl)propanoyl]piperidine-3-carboxamide |
| 13680 | A1B4P | 2 | C15 H20 N2 O3 S | InChI=1S/C15H20N2O3S/c1-2 1-12-6-3-2-5-11(12)9-13(1 8)17-8-4-7-15(20,10-17)14 (16)19/h2-3,5-6,20H,4,7-1 0H2,1H3,(H2,16,19)/t15-/m 1/s1; MATXBLKTWRNYBE-OAHLLOKOSA-N |
CSc1ccccc1CC(=O)N2CCC[C@@](C2)(C(=O)N)O; CSc1ccccc1CC(=O)N2CCC[C](O)(C2)C(N)=O; CSc1ccccc1CC(=O)N2CCCC(C2)(C(=O)N)O; OC1 (CCCN(C1)C(=O)Cc1ccccc1SC)C(N)=O; CSc1cc ccc1CC(=O)N2CCC[C@@](O)(C2)C(N)=O |
(3R)-3-hydroxy-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13681 | A1B4R | 2 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c17- 15(19)11-4-3-8-18(10-11)1 6(20)13-7-9-21-14-6-2-1-5 -12(13)14/h1-2,5-6,11,13H ,3-4,7-10H2,(H2,17,19)/t1 1-,13-/m0/s1; CIPSLIIOJPGGQL-AAEUAGOBSA-N |
c1ccc2c(c1)C(CCS2)C(=O)N3CCCC(C3)C(=O)N; NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCSc3ccc cc23; NC(=O)C1CCCN(C1)C(=O)C1CCSc2ccccc2 1; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCSc3ccc cc23; c1ccc2c(c1)[C@H](CCS2)C(=O)N3CCC[C @@H](C3)C(=O)N |
(3S)-1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide |
| 13682 | A1B4S | 1 | C17 H22 N4 O3 S | InChI=1S/C17H22N4O3S/c1-2 5-14-8-12-10(4-5-15(22)19 -12)7-13(14)20-17(24)21-6 -2-3-11(9-21)16(18)23/h7- 8,11H,2-6,9H2,1H3,(H2,18, 23)(H,19,22)(H,20,24)/t11 -/m0/s1; HCSAFLQJXYLSLY-NSHDSACASA-N |
CSc1cc2NC(=O)CCc2cc1NC(=O)N3CCC[CH](C3)C (N)=O; CSc1cc2NC(=O)CCc2cc1NC(=O)N3CCC[C @@H](C3)C(N)=O; O=C(Nc1cc2CCC(=O)Nc2cc1S C)N1CCCC(C1)C(N)=O; CSc1cc2c(cc1NC(=O)N3 CCC[C@@H](C3)C(=O)N)CCC(=O)N2; CSc1cc2c( cc1NC(=O)N3CCCC(C3)C(=O)N)CCC(=O)N2 |
(3S)-N~1~-[7-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]piperidine-1,3-dicarboxamide |
| 13683 | A1B4T | 1 | C13 H18 N2 O2 S | InChI=1S/C13H18N2O2S/c1-2 -9-5-6-18-11(9)8-15-7-10( 13(14)17)3-4-12(15)16/h5- 6,10H,2-4,7-8H2,1H3,(H2,1 4,17)/t10-/m0/s1; HYQKQMFDHNHXPW-JTQLQIEISA-N |
CCc1ccsc1CN1CC(CCC1=O)C(N)=O; CCc1ccsc1C N2CC(CCC2=O)C(=O)N; CCc1ccsc1CN2C[C@H](C CC2=O)C(=O)N; CCc1ccsc1CN2C[CH](CCC2=O)C (N)=O; CCc1ccsc1CN2C[C@H](CCC2=O)C(N)=O |
(3S)-1-[(3-ethylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13684 | A1B4U | 2 | C16 H21 N3 O2 S | InChI=1S/C16H21N3O2S/c17- 15(20)11-4-3-9-19(10-11)1 6(21)18-13-5-1-2-6-14(13) 22-12-7-8-12/h1-2,5-6,11- 12H,3-4,7-10H2,(H2,17,20) (H,18,21)/t11-/m0/s1; NRHXRDKTQQQCFH-NSHDSACASA-N |
O=C(Nc1ccccc1SC1CC1)N1CCCC(C1)C(N)=O; c1 ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC3 CC3; c1ccc(c(c1)NC(=O)N2CCCC(C2)C(=O)N)S C3CC3; NC(=O)[C@H]1CCCN(C1)C(=O)Nc2ccccc 2SC3CC3; NC(=O)[CH]1CCCN(C1)C(=O)Nc2cccc c2SC3CC3 |
(3S)-N~1~-[2-(cyclopropylsulfanyl)phenyl]piperidine-1,3-dicarboxamide |
| 13685 | A1B4V | 2 | C17 H22 N2 O4 | InChI=1S/C17H22N2O4/c1-22 -11-17-8-16(9-17,15(18)21 )10-19(17)14(20)7-12-5-3- 4-6-13(12)23-2/h3-6H,7-11 H2,1-2H3,(H2,18,21)/t16-, 17-; UCCVWOVHIIFTLD-QAQDUYKDSA-N |
O=C(Cc1ccccc1OC)N1CC2(CC1(C2)COC)C(N)=O; COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)C(=O)N ; COCC12CC(CN1C(=O)Cc3ccccc3OC)(C2)C(N)= O |
(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide |
| 13686 | A1B4W | 3 | C18 H25 N3 O3 | InChI=1S/C18H25N3O3/c1-24 -16-6-7-20-10-13(16)9-17( 22)21-11-14(18(19)23)8-12 -4-2-3-5-15(12)21/h6-7,10 ,12,14-15H,2-5,8-9,11H2,1 H3,(H2,19,23)/t12-,14+,15 -/m1/s1; MXUBGPXGMPSEFG-VHDGCEQUSA-N |
COc1ccncc1CC(=O)N2C[CH](C[CH]3CCCC[CH]23 )C(N)=O; COc1ccncc1CC(=O)N2CC(CC3C2CCCC3 )C(=O)N; COc1ccncc1CC(=O)N1CC(CC2CCCCC21 )C(N)=O; COc1ccncc1CC(=O)N2C[C@H](C[C@H] 3[C@H]2CCCC3)C(=O)N; COc1ccncc1CC(=O)N2C [C@H](C[C@@H]3CCCC[C@@H]23)C(N)=O |
(3S,4aR,8aR)-1-[(4-methoxypyridin-3-yl)acetyl]decahydroquinoline-3-carboxamide |
| 13687 | A1B4X | 1 | C15 H18 N4 O2 | InChI=1S/C15H18N4O2/c1-18 -13-6-10(2-3-11(13)7-17-1 8)8-19-9-12(15(16)21)4-5- 14(19)20/h2-3,6-7,12H,4-5 ,8-9H2,1H3,(H2,16,21)/t12 -/m0/s1; ICAOAIIRHBCCAZ-LBPRGKRZSA-N |
Cn1c2cc(ccc2cn1)CN3CC(CCC3=O)C(=O)N; Cn1 ncc2ccc(CN3C[CH](CCC3=O)C(N)=O)cc12; Cn1 ncc2ccc(CN3C[C@@H](CCC3=O)C(N)=O)cc12; C n1c2cc(ccc2cn1)CN3C[C@@H](CCC3=O)C(=O)N; NC(=O)C1CCC(=O)N(C1)Cc1ccc2cnn(C)c2c1 |
(3S)-1-[(1-methyl-1H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13688 | A1B4Y | 2 | C17 H20 N4 O2 S | InChI=1S/C17H20N4O2S/c1-2 4-14-7-6-13-12(5-2-8-19-1 3)15(14)20-17(23)21-9-3-4 -11(10-21)16(18)22/h2,5-8 ,11H,3-4,9-10H2,1H3,(H2,1 8,22)(H,20,23)/t11-/m0/s1; CYBVNZOMOMLBBC-NSHDSACASA-N |
CSc1ccc2c(c1NC(=O)N3CCCC(C3)C(=O)N)cccn2 ; CSc1ccc2ncccc2c1NC(=O)N3CCC[C@@H](C3)C (N)=O; CSc1ccc2c(c1NC(=O)N3CCC[C@@H](C3) C(=O)N)cccn2; CSc1ccc2ncccc2c1NC(=O)N3CC C[CH](C3)C(N)=O; O=C(Nc1c2cccnc2ccc1SC)N 1CCCC(C1)C(N)=O |
(3S)-N~1~-[6-(methylsulfanyl)quinolin-5-yl]piperidine-1,3-dicarboxamide |
| 13689 | A1B4Z | 2 | C12 H15 Cl N4 O2 | InChI=1S/C12H15ClN4O2/c13 -9-5-15-7-16-10(9)4-11(18 )17-3-1-2-8(6-17)12(14)19 /h5,7-8H,1-4,6H2,(H2,14,1 9)/t8-/m0/s1; FLCFQJGWJJRWLD-QMMMGPOBSA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ncncc2Cl; O= C(Cc1ncncc1Cl)N1CCCC(C1)C(N)=O; c1c(c(nc n1)CC(=O)N2CCCC(C2)C(=O)N)Cl; c1c(c(ncn1 )CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl; NC(=O)[ CH]1CCCN(C1)C(=O)Cc2ncncc2Cl |
(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide |
| 13690 | A1B50 | 2 | C16 H21 Br N2 O2 S | InChI=1S/C16H21BrN2O2S/c1 -10-3-4-11(16(18)21)9-19( 10)15(20)8-12-7-13(17)5-6 -14(12)22-2/h5-7,10-11H,3 -4,8-9H2,1-2H3,(H2,18,21) /t10-,11+/m1/s1; FMBXRAUPCZLXGY-MNOVXSKESA-N |
C[C@@H]1CC[C@@H](CN1C(=O)Cc2cc(ccc2SC)Br )C(=O)N; CC1CCC(CN1C(=O)Cc2cc(ccc2SC)Br) C(=O)N; CSc1ccc(Br)cc1CC(=O)N2C[CH](CC[C H]2C)C(N)=O; CSc1ccc(Br)cc1CC(=O)N2C[C@H ](CC[C@H]2C)C(N)=O; O=C(Cc1cc(Br)ccc1SC) N1CC(CCC1C)C(N)=O |
(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide |
| 13691 | A1B51 | 2 | C15 H20 N2 O3 S | InChI=1S/C15H20N2O3S/c1-2 -12-6-3-4-7-14(12)11-21(1 9,20)17-9-5-8-13(10-17)15 (16)18/h2-4,6-7,13H,1,5,8 -11H2,(H2,16,18)/t13-/m0/ s1; DIYJWUSVAMGGFW-ZDUSSCGKSA-N |
C=Cc1ccccc1CS(=O)(=O)N2CCCC(C2)C(=O)N; N C(=O)[C@H]1CCCN(C1)[S](=O)(=O)Cc2ccccc2C =C; O=S(=O)(Cc1ccccc1C=C)N1CCCC(C1)C(N)= O; NC(=O)[CH]1CCCN(C1)[S](=O)(=O)Cc2cccc c2C=C; C=Cc1ccccc1CS(=O)(=O)N2CCC[C@@H]( C2)C(=O)N |
(3S)-1-[(2-ethenylphenyl)methanesulfonyl]piperidine-3-carboxamide |
| 13692 | A1B52 | 2 | C16 H21 Br N2 O2 S | InChI=1S/C16H21BrN2O2S/c1 -10-3-4-11(16(18)21)9-19( 10)15(20)8-12-7-13(17)5-6 -14(12)22-2/h5-7,10-11H,3 -4,8-9H2,1-2H3,(H2,18,21) /t10-,11-/m0/s1; FMBXRAUPCZLXGY-QWRGUYRKSA-N |
C[C@H]1CC[C@H](CN1C(=O)Cc2cc(ccc2SC)Br)C (=O)N; CSc1ccc(Br)cc1CC(=O)N2C[C@@H](CC[ C@@H]2C)C(N)=O; CC1CCC(CN1C(=O)Cc2cc(ccc 2SC)Br)C(=O)N; CSc1ccc(Br)cc1CC(=O)N2C[C H](CC[CH]2C)C(N)=O; O=C(Cc1cc(Br)ccc1SC) N1CC(CCC1C)C(N)=O |
(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide |
| 13693 | A1B53 | 1 | C15 H19 N3 O3 | InChI=1S/C15H19N3O3/c1-9- 4-3-5-10(6-9)13(15(21)17- 2)18-8-11(14(16)20)7-12(1 8)19/h3-6,11,13H,7-8H2,1- 2H3,(H2,16,20)(H,17,21)/t 11-,13-/m0/s1; LDFRWHLYLLJBKU-AAEUAGOBSA-N |
CNC(=O)[C@H](N1C[C@H](CC1=O)C(N)=O)c2ccc c(C)c2; Cc1cccc(c1)[C@H](C(=O)NC)N2C[C@H ](CC2=O)C(=O)N; Cc1cccc(c1)C(C(=O)NC)N2C C(CC2=O)C(=O)N; O=C(NC)C(c1cccc(C)c1)N1C C(CC1=O)C(N)=O; CNC(=O)[CH](N1C[CH](CC1= O)C(N)=O)c2cccc(C)c2 |
(3S)-1-[(1S)-2-(methylamino)-1-(3-methylphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide |
| 13694 | A1B54 | 2 | C17 H25 N3 O3 S | InChI=1S/C17H25N3O3S/c1-1 1(2)24-14-8-4-7-13(23-3)1 5(14)19-17(22)20-9-5-6-12 (10-20)16(18)21/h4,7-8,11 -12H,5-6,9-10H2,1-3H3,(H2 ,18,21)(H,19,22)/t12-/m0/ s1; OFDCWASTDCXECL-LBPRGKRZSA-N |
COc1cccc(SC(C)C)c1NC(=O)N2CCC[CH](C2)C(N )=O; O=C(Nc1c(OC)cccc1SC(C)C)N1CCCC(C1)C (N)=O; CC(C)Sc1cccc(c1NC(=O)N2CCCC(C2)C( =O)N)OC; COc1cccc(SC(C)C)c1NC(=O)N2CCC[C @@H](C2)C(N)=O; CC(C)Sc1cccc(c1NC(=O)N2C CC[C@@H](C2)C(=O)N)OC |
(3S)-N~1~-{2-methoxy-6-[(propan-2-yl)sulfanyl]phenyl}piperidine-1,3-dicarboxamide |
| 13695 | A1B55 | 2 | C17 H25 N3 O3 S | InChI=1S/C17H25N3O3S/c1-3 -10-24-14-8-4-7-13(23-2)1 5(14)19-17(22)20-9-5-6-12 (11-20)16(18)21/h4,7-8,12 H,3,5-6,9-11H2,1-2H3,(H2, 18,21)(H,19,22)/t12-/m0/s 1; HVGDXHLIMOIPFU-LBPRGKRZSA-N |
O=C(Nc1c(OC)cccc1SCCC)N1CCCC(C1)C(N)=O; CCCSc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)OC; CCCSc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N )OC; CCCSc1cccc(OC)c1NC(=O)N2CCC[CH](C2) C(N)=O; CCCSc1cccc(OC)c1NC(=O)N2CCC[C@@H ](C2)C(N)=O |
(3S)-N~1~-[2-methoxy-6-(propylsulfanyl)phenyl]piperidine-1,3-dicarboxamide |
| 13696 | A1B56 | 2 | C15 H18 N4 O2 S2 | InChI=1S/C15H18N4O2S2/c1- 22-10-4-5-11-12(17-8-23-1 1)13(10)18-15(21)19-6-2-3 -9(7-19)14(16)20/h4-5,8-9 H,2-3,6-7H2,1H3,(H2,16,20 )(H,18,21)/t9-/m0/s1; OGACCXDFDXEPAC-VIFPVBQESA-N |
NC(=O)C1CCCN(C1)C(=O)Nc1c(ccc2scnc12)SC; CSc1ccc2c(c1NC(=O)N3CCCC(C3)C(=O)N)ncs2 ; CSc1ccc2scnc2c1NC(=O)N3CCC[C@@H](C3)C( N)=O; CSc1ccc2c(c1NC(=O)N3CCC[C@@H](C3)C (=O)N)ncs2; CSc1ccc2scnc2c1NC(=O)N3CCC[C H](C3)C(N)=O |
(3S)-N~1~-[5-(methylsulfanyl)-1,3-benzothiazol-4-yl]piperidine-1,3-dicarboxamide |
| 13697 | A1B57 | 1 | C13 H18 Cl N3 O4 S | InChI=1S/C13H18ClN3O4S/c1 -21-12-5-4-10(14)7-11(12) 16-22(19,20)17-6-2-3-9(8- 17)13(15)18/h4-5,7,9,16H, 2-3,6,8H2,1H3,(H2,15,18)/ t9-/m0/s1; XSZBTPSYMNFHRU-VIFPVBQESA-N |
COc1ccc(cc1NS(=O)(=O)N2CCCC(C2)C(=O)N)Cl ; COc1ccc(Cl)cc1N[S](=O)(=O)N2CCC[C@@H]( C2)C(N)=O; COc1ccc(cc1NS(=O)(=O)N2CCC[C@ @H](C2)C(=O)N)Cl; COc1ccc(Cl)cc1N[S](=O) (=O)N2CCC[CH](C2)C(N)=O; O=S(=O)(Nc1cc(C l)ccc1OC)N1CCCC(C1)C(N)=O |
(3S)-1-[(5-chloro-2-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide |
| 13698 | A1B58 | 1 | C15 H17 Cl N2 O2 | InChI=1S/C15H17ClN2O2/c16 -12-4-2-1-3-11(12)5-13(19 )18-8-10-6-15(7-10,9-18)1 4(17)20/h1-4,10H,5-9H2,(H 2,17,20)/t10-,15+; HXSIRLGOOQULEB-AVCCJPFPSA-N |
O=C(Cc1ccccc1Cl)N1CC2CC(C2)(C1)C(N)=O; c 1ccc(c(c1)CC(=O)N2CC3CC(C3)(C2)C(=O)N)Cl ; NC(=O)C12CC(CN(C1)C(=O)Cc3ccccc3Cl)C2 |
(1s,5s)-3-[(2-chlorophenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide |
| 13699 | A1B59 | 1 | C18 H24 N2 O2 S | InChI=1S/C18H24N2O2S/c1-2 3-16-7-6-13(12-4-5-12)9-1 5(16)10-17(21)20-8-2-3-14 (11-20)18(19)22/h6-7,9,12 ,14H,2-5,8,10-11H2,1H3,(H 2,19,22)/t14-/m0/s1; WSXXVKQJHSXXCS-AWEZNQCLSA-N |
CSc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)C 3CC3; CSc1ccc(cc1CC(=O)N2CCC[CH](C2)C(N) =O)C3CC3; CSc1ccc(cc1CC(=O)N2CCC[C@@H](C 2)C(N)=O)C3CC3; O=C(Cc1cc(ccc1SC)C1CC1)N 1CCCC(C1)C(N)=O; CSc1ccc(cc1CC(=O)N2CCCC (C2)C(=O)N)C3CC3 |
(3S)-1-{[5-cyclopropyl-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13700 | A1B5A | 2 | C13 H18 N4 O2 S | InChI=1S/C13H18N4O2S/c1-2 0-13-10(6-15-8-16-13)5-11 (18)17-4-2-3-9(7-17)12(14 )19/h6,8-9H,2-5,7H2,1H3,( H2,14,19)/t9-/m0/s1; VHSVZDNSBFAAEB-VIFPVBQESA-N |
CSc1c(cncn1)CC(=O)N2CCCC(C2)C(=O)N; CSc1 c(cncn1)CC(=O)N2CCC[C@@H](C2)C(=O)N; CSc 1ncncc1CC(=O)N2CCC[C@@H](C2)C(N)=O; O=C( Cc1cncnc1SC)N1CCCC(C1)C(N)=O; CSc1ncncc1 CC(=O)N2CCC[CH](C2)C(N)=O |
(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide |
| 13701 | A1B5B | 2 | C16 H21 N3 O3 S | InChI=1S/C16H21N3O3S/c1-2 3-13-5-3-2-4-10(13)7-14(2 0)19-8-11(15(17)21)6-12(9 -19)16(18)22/h2-5,11-12H, 6-9H2,1H3,(H2,17,21)(H2,1 8,22)/t11-,12+; QGOOPSUEGGPXHT-TXEJJXNPSA-N |
CSc1ccccc1CC(=O)N2C[CH](C[CH](C2)C(N)=O) C(N)=O; O=C(Cc1ccccc1SC)N1CC(CC(C1)C(N)= O)C(N)=O; CSc1ccccc1CC(=O)N2C[C@@H](C[C@ @H](C2)C(=O)N)C(=O)N; CSc1ccccc1CC(=O)N2 C[C@@H](C[C@@H](C2)C(N)=O)C(N)=O; CSc1cc ccc1CC(=O)N2CC(CC(C2)C(=O)N)C(=O)N |
(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide |
| 13702 | A1B5C | 1 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c17- 16(20)13-5-2-7-18(10-13)1 4(19)9-12-4-1-3-11-6-8-21 -15(11)12/h1,3-4,13H,2,5- 10H2,(H2,17,20)/t13-/m0/s 1; MYWVCJKERPOZPN-ZDUSSCGKSA-N |
c1cc2c(c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N) SCC2; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3C CSc23; c1cc2c(c(c1)CC(=O)N3CCCC(C3)C(=O) N)SCC2; NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3 CCSc23; NC(=O)C1CCCN(C1)C(=O)Cc1cccc2CCS c12 |
(3S)-1-[(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide |
| 13703 | A1B5E | 2 | C16 H18 N4 O2 | InChI=1S/C16H18N4O2/c1-19 -8-7-18-16(19)14(11-5-3-2 -4-6-11)20-10-12(15(17)22 )9-13(20)21/h2-8,12,14H,9 -10H2,1H3,(H2,17,22)/t12- ,14-/m0/s1; WFFNOQGVJJRMPK-JSGCOSHPSA-N |
Cn1ccnc1[C@@H](c2ccccc2)N3C[C@H](CC3=O)C (=O)N; Cn1ccnc1[C@H](N2C[C@H](CC2=O)C(N) =O)c3ccccc3; NC(=O)C1CC(=O)N(C1)C(c1nccn 1C)c1ccccc1; Cn1ccnc1C(c2ccccc2)N3CC(CC3 =O)C(=O)N; Cn1ccnc1[CH](N2C[CH](CC2=O)C( N)=O)c3ccccc3 |
(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| 13704 | A1B5F | 3 | C16 H22 N2 O2 S | InChI=1S/C16H22N2O2S/c1-1 1-7-13(16(17)20)10-18(9-1 1)15(19)8-12-5-3-4-6-14(1 2)21-2/h3-6,11,13H,7-10H2 ,1-2H3,(H2,17,20)/t11-,13 +/m1/s1; KCUWPJSIVYQWJM-YPMHNXCESA-N |
CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O; CSc 1ccccc1CC(=O)N2C[C@H](C)C[C@@H](C2)C(N)= O; CC1CC(CN(C1)C(=O)Cc2ccccc2SC)C(=O)N; CSc1ccccc1CC(=O)N2C[CH](C)C[CH](C2)C(N)= O; C[C@@H]1C[C@@H](CN(C1)C(=O)Cc2ccccc2S C)C(=O)N |
(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13705 | A1B5G | 1 | C16 H20 N2 O2 | InChI=1S/C16H20N2O2/c17-1 6(20)12-8-9-15(19)18(10-1 2)14-7-3-5-11-4-1-2-6-13( 11)14/h1-2,4,6,12,14H,3,5 ,7-10H2,(H2,17,20)/t12-,1 4+/m0/s1; OUROYAJWZKVYSV-GXTWGEPZSA-N |
NC(=O)[C@@H]1CCC(=O)N(C1)[C@@H]2CCCc3ccc cc23; c1ccc2c(c1)CCCC2N3CC(CCC3=O)C(=O)N ; NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12; c1 ccc2c(c1)CCC[C@H]2N3C[C@@H](CCC3=O)C(=O) N; NC(=O)[CH]1CCC(=O)N(C1)[CH]2CCCc3cccc c23 |
(3S)-6-oxo-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
| 13706 | A1B5H | 1 | C14 H18 N2 O2 S | InChI=1S/C14H18N2O2S/c1-1 9-12-5-3-2-4-10(12)6-7-16 -9-11(14(15)18)8-13(16)17 /h2-5,11H,6-9H2,1H3,(H2,1 5,18)/t11-/m0/s1; IVNOXRPABJYKCG-NSHDSACASA-N |
CSc1ccccc1CCN2CC(CC2=O)C(=O)N; CSc1ccccc 1CCN2C[C@H](CC2=O)C(=O)N; NC(=O)C1CC(=O) N(CCc2ccccc2SC)C1; CSc1ccccc1CCN2C[CH](C C2=O)C(N)=O; CSc1ccccc1CCN2C[C@H](CC2=O) C(N)=O |
(3S)-1-{2-[2-(methylsulfanyl)phenyl]ethyl}-5-oxopyrrolidine-3-carboxamide |
| 13707 | A1B5I | 1 | C16 H20 N2 O2 | InChI=1S/C16H20N2O2/c17-1 6(20)12-8-9-15(19)18(10-1 2)14-7-3-5-11-4-1-2-6-13( 11)14/h1-2,4,6,12,14H,3,5 ,7-10H2,(H2,17,20)/t12-,1 4+/m0/s1; OUROYAJWZKVYSV-GXTWGEPZSA-N |
c1ccc2c(c1)CCC[C@H]2N3C[C@H](CCC3=O)C(=O )N; c1ccc2c(c1)CCCC2N3CC(CCC3=O)C(=O)N; NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12; NC(= O)[CH]1CCC(=O)N(C1)[CH]2CCCc3ccccc23; NC (=O)[C@H]1CCC(=O)N(C1)[C@@H]2CCCc3ccccc2 3 |
(3S)-6-oxo-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
| 13708 | A1B5J | 2 | C13 H16 Cl N3 O2 | InChI=1S/C13H16ClN3O2/c14 -12-9(3-1-5-16-12)7-11(18 )17-6-2-4-10(8-17)13(15)1 9/h1,3,5,10H,2,4,6-8H2,(H 2,15,19)/t10-/m0/s1; MVRLSGDTKPBMCQ-JTQLQIEISA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccnc2Cl; c1 cc(c(nc1)Cl)CC(=O)N2CCC[C@@H](C2)C(=O)N; c1cc(c(nc1)Cl)CC(=O)N2CCCC(C2)C(=O)N; O =C(Cc1cccnc1Cl)N1CCCC(C1)C(N)=O; NC(=O)[ CH]1CCCN(C1)C(=O)Cc2cccnc2Cl |
(3S)-1-[(2-chloropyridin-3-yl)acetyl]piperidine-3-carboxamide |
| 13709 | A1B5K | 2 | C12 H15 Cl N4 O2 | InChI=1S/C12H15ClN4O2/c13 -11-9(5-15-7-16-11)4-10(1 8)17-3-1-2-8(6-17)12(14)1 9/h5,7-8H,1-4,6H2,(H2,14, 19)/t8-/m0/s1; XPAHSYNCKBEQTK-QMMMGPOBSA-N |
c1c(c(ncn1)Cl)CC(=O)N2CCC[C@@H](C2)C(=O) N; O=C(Cc1cncnc1Cl)N1CCCC(C1)C(N)=O; NC( =O)[CH]1CCCN(C1)C(=O)Cc2cncnc2Cl; c1c(c( ncn1)Cl)CC(=O)N2CCCC(C2)C(=O)N; NC(=O)[C @H]1CCCN(C1)C(=O)Cc2cncnc2Cl |
(3S)-1-[(4-chloropyrimidin-5-yl)acetyl]piperidine-3-carboxamide |
| 13710 | A1B5L | 2 | C14 H16 N4 O2 | InChI=1S/C14H16N4O2/c15-8 -12-5-1-4-11(17-12)7-13(1 9)18-6-2-3-10(9-18)14(16) 20/h1,4-5,10H,2-3,6-7,9H2 ,(H2,16,20)/t10-/m0/s1; SLDWUJQMGFUKGI-JTQLQIEISA-N |
c1cc(nc(c1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O )N; c1cc(nc(c1)C#N)CC(=O)N2CCCC(C2)C(=O) N; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc(n2)C #N; O=C(Cc1cccc(C#N)n1)N1CCCC(C1)C(N)=O; NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc(n2)C#N |
(3S)-1-[(6-cyanopyridin-2-yl)acetyl]piperidine-3-carboxamide |
| 13711 | A1B5M | 2 | C10 H17 N5 O3 S | InChI=1S/C10H17N5O3S/c1-1 4-7-9(5-12-14)13-19(17,18 )15-4-2-3-8(6-15)10(11)16 /h5,7-8,13H,2-4,6H2,1H3,( H2,11,16)/t8-/m0/s1; LHMBTQSMJAKEKA-QMMMGPOBSA-N |
Cn1cc(N[S](=O)(=O)N2CCC[CH](C2)C(N)=O)cn 1; Cn1cc(N[S](=O)(=O)N2CCC[C@@H](C2)C(N) =O)cn1; O=S(=O)(Nc1cn(C)nc1)N1CCCC(C1)C( N)=O; Cn1cc(cn1)NS(=O)(=O)N2CCC[C@@H](C2 )C(=O)N; Cn1cc(cn1)NS(=O)(=O)N2CCCC(C2)C (=O)N |
(3S)-1-[(1-methyl-1H-pyrazol-4-yl)sulfamoyl]piperidine-3-carboxamide |
| 13712 | A1B5N | 1 | C14 H19 N3 O2 | InChI=1S/C14H19N3O2/c1-10 -4-3-5-12(8-10)16(2)14(19 )17-7-6-11(9-17)13(15)18/ h3-5,8,11H,6-7,9H2,1-2H3, (H2,15,18)/t11-/m0/s1; SACRPFIJTOHFAQ-NSHDSACASA-N |
Cc1cccc(c1)N(C)C(=O)N2CCC(C2)C(=O)N; CN( C(=O)N1CC[CH](C1)C(N)=O)c2cccc(C)c2; O=C (N)C1CCN(C1)C(=O)N(C)c1cc(C)ccc1; CN(C(= O)N1CC[C@@H](C1)C(N)=O)c2cccc(C)c2; Cc1c ccc(c1)N(C)C(=O)N2CC[C@@H](C2)C(=O)N |
(3S)-N~1~-methyl-N~1~-(3-methylphenyl)pyrrolidine-1,3-dicarboxamide |
| 13713 | A1B5O | 1 | C14 H24 N2 O3 S | InChI=1S/C14H24N2O3S/c1-2 0-12-7-3-2-6-11(12)19-14( 18)16-8-4-5-10(9-16)13(15 )17/h10-12H,2-9H2,1H3,(H2 ,15,17)/t10-,11+,12-/m0/s 1; ZIWATAJUDIIRFB-TUAOUCFPSA-N |
CSC1CCCCC1OC(=O)N2CCCC(C2)C(=O)N; CS[C@@ H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C(=O)N ; CS[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C 2)C(N)=O; NC(=O)C1CCCN(C1)C(=O)OC1CCCCC1 SC; CS[CH]1CCCC[CH]1OC(=O)N2CCC[CH](C2)C (N)=O |
(1R,2S)-2-(methylsulfanyl)cyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate |
| 13714 | A1B5P | 1 | C18 H20 N4 O2 | InChI=1S/C18H20N4O2/c1-11 -14(15-4-2-12(9-19)8-16(1 5)21-11)6-7-22-10-13(18(2 0)24)3-5-17(22)23/h2,4,8, 13,21H,3,5-7,10H2,1H3,(H2 ,20,24)/t13-/m0/s1; JJVAWSBGUDDHFE-ZDUSSCGKSA-N |
Cc1c(c2ccc(cc2[nH]1)C#N)CCN3CC(CCC3=O)C( =O)N; Cc1c(c2ccc(cc2[nH]1)C#N)CCN3C[C@H] (CCC3=O)C(=O)N; Cc1[nH]c2cc(ccc2c1CCN3C[ CH](CCC3=O)C(N)=O)C#N; Cc1[nH]c2cc(ccc2c 1CCN3C[C@H](CCC3=O)C(N)=O)C#N; NC(=O)C1C CC(=O)N(CCc2c3ccc(C#N)cc3[NH]c2C)C1 |
(3S)-1-[2-(6-cyano-2-methyl-1H-indol-3-yl)ethyl]-6-oxopiperidine-3-carboxamide |
| 13715 | A1B5Q | 1 | C15 H17 N3 O2 S | InChI=1S/C15H17N3O2S/c16- 15(20)11-4-2-6-18(8-11)13 (19)7-10-3-1-5-12-14(10)2 1-9-17-12/h1,3,5,9,11H,2, 4,6-8H2,(H2,16,20)/t11-/m 0/s1; WGNHPXNYNNGWCO-NSHDSACASA-N |
c1cc(c2c(c1)ncs2)CC(=O)N3CCCC(C3)C(=O)N; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3ncsc23 ; c1cc(c2c(c1)ncs2)CC(=O)N3CCC[C@@H](C3) C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3 ncsc23; NC(=O)C1CCCN(C1)C(=O)Cc1cccc2ncs c12 |
(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide |
| 13716 | A1B5R | 2 | C12 H15 Cl N4 O2 | InChI=1S/C12H15ClN4O2/c13 -12-15-4-3-9(16-12)6-10(1 8)17-5-1-2-8(7-17)11(14)1 9/h3-4,8H,1-2,5-7H2,(H2,1 4,19)/t8-/m0/s1; UJTNPOXHMLXHKO-QMMMGPOBSA-N |
NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccnc(Cl)n2; c 1cnc(nc1CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccnc(Cl)n2; O=C(Cc1ccnc(Cl)n1)N1CCCC(C1)C(N)=O; c1cn c(nc1CC(=O)N2CCCC(C2)C(=O)N)Cl |
(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide |
| 13717 | A1B5S | 2 | C14 H24 N2 O3 | InChI=1S/C14H24N2O3/c1-10 -5-2-3-7-12(10)19-14(18)1 6-8-4-6-11(9-16)13(15)17/ h10-12H,2-9H2,1H3,(H2,15, 17)/t10-,11+,12+/m1/s1; ZAWQXTDATNVLIA-WOPDTQHZSA-N |
C[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C (N)=O; NC(=O)C1CCCN(C1)C(=O)OC1CCCCC1C; C[CH]1CCCC[CH]1OC(=O)N2CCC[CH](C2)C(N)=O ; C[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2 )C(=O)N; CC1CCCCC1OC(=O)N2CCCC(C2)C(=O)N |
(1S,2R)-2-methylcyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate |
| 13718 | A1B5T | 1 | C13 H15 N5 O2 | InChI=1S/C13H15N5O2/c14-5 -11-10(6-16-8-17-11)4-12( 19)18-3-1-2-9(7-18)13(15) 20/h6,8-9H,1-4,7H2,(H2,15 ,20)/t9-/m0/s1; WXXXEMOOVWCNSU-VIFPVBQESA-N |
NC(=O)[CH]1CCCN(C1)C(=O)Cc2cncnc2C#N; c1 c(c(ncn1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N ; NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cncnc2C#N; O=C(Cc1cncnc1C#N)N1CCCC(C1)C(N)=O; c1c( c(ncn1)C#N)CC(=O)N2CCCC(C2)C(=O)N |
(3S)-1-[(4-cyanopyrimidin-5-yl)acetyl]piperidine-3-carboxamide |
| 13719 | A1B5U | 2 | C16 H20 N2 O2 | InChI=1S/C16H20N2O2/c17-1 6(20)12-8-9-15(19)18(10-1 2)14-7-3-5-11-4-1-2-6-13( 11)14/h1-2,4,6,12,14H,3,5 ,7-10H2,(H2,17,20)/t12-,1 4-/m0/s1; OUROYAJWZKVYSV-JSGCOSHPSA-N |
c1ccc2c(c1)CCC[C@@H]2N3C[C@H](CCC3=O)C(= O)N; c1ccc2c(c1)CCCC2N3CC(CCC3=O)C(=O)N; NC(=O)[C@H]1CCC(=O)N(C1)[C@H]2CCCc3cccc c23; NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12; NC(=O)[CH]1CCC(=O)N(C1)[CH]2CCCc3ccccc2 3 |
(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
| 13720 | A1B5V | 2 | C16 H21 Br N2 O2 S | InChI=1S/C16H21BrN2O2S/c1 -22-14-5-4-13(17)9-12(14) 10-15(20)19-7-2-3-11(6-8- 19)16(18)21/h4-5,9,11H,2- 3,6-8,10H2,1H3,(H2,18,21) /t11-/m0/s1; CVDDTGFVMVUXPC-NSHDSACASA-N |
CSc1ccc(cc1CC(=O)N2CCCC(CC2)C(=O)N)Br; C Sc1ccc(cc1CC(=O)N2CCC[C@@H](CC2)C(=O)N)B r; CSc1ccc(Br)cc1CC(=O)N2CCC[C@@H](CC2)C (N)=O; CSc1ccc(Br)cc1CC(=O)N2CCC[CH](CC2 )C(N)=O; O=C(Cc1cc(Br)ccc1SC)N1CCCC(CC1) C(N)=O |
(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide |
| 13721 | A1B5X | 1 | C12 H18 N4 O3 S2 | InChI=1S/C12H18N4O3S2/c1- 20-11-4-5-14-7-10(11)15-2 1(18,19)16-6-2-3-9(8-16)1 2(13)17/h4-5,7,9,15H,2-3, 6,8H2,1H3,(H2,13,17)/t9-/ m0/s1; GMDPEUDWIAGBOI-VIFPVBQESA-N |
CSc1ccncc1N[S](=O)(=O)N2CCC[C@@H](C2)C(N )=O; CSc1ccncc1NS(=O)(=O)N2CCCC(C2)C(=O) N; O=S(=O)(Nc1cnccc1SC)N1CCCC(C1)C(N)=O; CSc1ccncc1NS(=O)(=O)N2CCC[C@@H](C2)C(=O )N; CSc1ccncc1N[S](=O)(=O)N2CCC[CH](C2)C (N)=O |
(3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]sulfamoyl}piperidine-3-carboxamide |
| 13722 | A1B5Y | 1 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-2 1-14-5-3-2-4-10(14)8-15(1 9)18-9-12(16(17)20)6-11-7 -13(11)18/h2-5,11-13H,6-9 H2,1H3,(H2,17,20)/t11?,12 -,13+/m0/s1; POUPHNLBVXGGPW-LWNNLKQOSA-N |
CSc1ccccc1CC(=O)N2CC(CC3C2C3)C(=O)N; CSc 1ccccc1CC(=O)N2C[C@H](C[C@@H]3[C@H]2C3)C (=O)N; CSc1ccccc1CC(=O)N2C[C@H](C[C@H]3C [C@@H]23)C(N)=O; O=C(Cc1ccccc1SC)N1CC(CC 2CC21)C(N)=O; CSc1ccccc1CC(=O)N2C[CH](C[ CH]3C[CH]23)C(N)=O |
(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide |
| 13723 | A1B5Z | 1 | C13 H18 N2 O2 S2 | InChI=1S/C13H18N2O2S2/c1- 18-11-8-19-7-10(11)5-12(1 6)15-4-2-3-9(6-15)13(14)1 7/h7-9H,2-6H2,1H3,(H2,14, 17)/t9-/m0/s1; ZVMJXFQDYDQURV-VIFPVBQESA-N |
CSc1cscc1CC(=O)N1CCCC(C1)C(N)=O; CSc1csc c1CC(=O)N2CCC[C@@H](C2)C(N)=O; CSc1cscc1 CC(=O)N2CCCC(C2)C(=O)N; CSc1cscc1CC(=O)N 2CCC[CH](C2)C(N)=O; CSc1cscc1CC(=O)N2CCC [C@@H](C2)C(=O)N |
(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide |
| 13724 | A1B62 | 1 | C20 H21 F N4 O6 S2 | InChI=1S/C20H21FN4O6S2/c2 1-14-9(8-32-15(14)17(29)2 3-12(19(30)31)5-6-13(26)2 7)3-1-2-4-10-7-11-16(28)2 4-20(22)25-18(11)33-10/h7 -8,12H,1-6H2,(H,23,29)(H, 26,27)(H,30,31)(H3,22,24, 25,28)/t12-/m0/s1; WMUHYWZCFKANFD-LBPRGKRZSA-N |
NC1=Nc2sc(CCCCc3csc(C(=O)N[C@@H](CCC(O)= O)C(O)=O)c3F)cc2C(=O)N1; O=C(O)C(CCC(=O) O)NC(=O)c1scc(CCCCc2cc3C(=O)NC(N)=Nc3s2) c1F; c1c(sc2c1C(=O)NC(=N2)N)CCCCc3csc(c3 F)C(=O)N[C@@H](CCC(=O)O)C(=O)O; NC1=Nc2s c(CCCCc3csc(C(=O)N[CH](CCC(O)=O)C(O)=O)c 3F)cc2C(=O)N1; c1c(sc2c1C(=O)NC(=N2)N)CC CCc3csc(c3F)C(=O)NC(CCC(=O)O)C(=O)O |
N-{4-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid |
| 13725 | A1B66 CHEMBL5084598 |
1 | C25 H32 N6 O2 | InChI=1S/C25H32N6O2/c1-14 -9-18-19(11-21(14)30(4)24 (32)15(2)31-5-7-33-8-6-31 )27-23(26-18)22-17-10-16- 12-25(16,3)13-20(17)28-29 -22/h9,11,15-16H,5-8,10,1 2-13H2,1-4H3,(H,26,27)(H, 28,29)/t15-,16+,25+/m0/s1; DVXKDRBZBOJVGG-JAUXOLPYSA-N |
CC(C(=O)N(C)c1cc2nc([NH]c2cc1C)c1n[NH]c2 CC3(C)CC3Cc21)N1CCOCC1; C[C@H](N1CCOCC1) C(=O)N(C)c2cc3nc([nH]c3cc2C)c4n[nH]c5C[C @@]6(C)C[C@H]6Cc45; Cc1cc2c(cc1N(C)C(=O) [C@H](C)N3CCOCC3)nc([nH]2)c4c5c([nH]n4)C [C@]6(C[C@H]6C5)C; C[CH](N1CCOCC1)C(=O)N (C)c2cc3nc([nH]c3cc2C)c4n[nH]c5C[C]6(C)C [CH]6Cc45; Cc1cc2c(cc1N(C)C(=O)C(C)N3CCO CC3)nc([nH]2)c4c5c([nH]n4)CC6(CC6C5)C |
(2S)-N-methyl-N-{6-methyl-2-[(4aS,5aR)-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazol-3-yl]-1H-1,3-benzimidazol-5-yl}-2-(morpholin-4-yl)propanamide |
| 13726 | A1B6A | 2 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-2 1-13-5-3-2-4-12(13)6-15(2 0)18-10-11-7-16(18,8-11)9 -14(17)19/h2-5,11H,6-10H2 ,1H3,(H2,17,19)/t11-,16+; MXYVXUBBWVDIAO-AITUWYQGSA-N |
O=C(Cc1ccccc1SC)N1CC2CC1(CC(N)=O)C2; CSc 1ccccc1CC(=O)N2CC3CC2(C3)CC(=O)N; CSc1cc ccc1CC(=O)N2CC3CC2(C3)CC(N)=O |
2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide |
| 13727 | A1B6B | 1 | C16 H20 N2 O2 | InChI=1S/C16H20N2O2/c1-11 -4-2-3-5-13(11)6-14(19)18 -9-12-7-16(8-12,10-18)15( 17)20/h2-5,12H,6-10H2,1H3 ,(H2,17,20)/t12-,16+; NSXJPJIBAXHMJJ-DRQUAOQDSA-N |
Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(N)=O; O= C(Cc1ccccc1C)N1CC2CC(C2)(C1)C(N)=O; Cc1c cccc1CC(=O)N2CC3CC(C3)(C2)C(=O)N |
(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide |
| 13728 | A1B6C | 1 | C17 H23 N3 O3 S | InChI=1S/C17H23N3O3S/c1-2 4-14-7-2-6-13-15(14)20(9- 4-10-23-13)17(22)19-8-3-5 -12(11-19)16(18)21/h2,6-7 ,12H,3-5,8-11H2,1H3,(H2,1 8,21)/t12-/m0/s1; IVODTZLBELRWKY-LBPRGKRZSA-N |
CSc1cccc2OCCCN(C(=O)N3CCC[CH](C3)C(N)=O) c12; CSc1cccc2OCCCN(C(=O)N3CCC[C@@H](C3) C(N)=O)c12; NC(=O)C1CCCN(C1)C(=O)N1CCCOc 2cccc(SC)c12; CSc1cccc2c1N(CCCO2)C(=O)N3 CCCC(C3)C(=O)N; CSc1cccc2c1N(CCCO2)C(=O) N3CCC[C@@H](C3)C(=O)N |
(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide |
| 13729 | A1B6D | 2 | C16 H21 Br N2 O2 S | InChI=1S/C16H21BrN2O2S/c1 -10-3-4-11(16(18)21)9-19( 10)15(20)8-12-7-13(17)5-6 -14(12)22-2/h5-7,10-11H,3 -4,8-9H2,1-2H3,(H2,18,21) /t10-,11+/m1/s1; FMBXRAUPCZLXGY-MNOVXSKESA-N |
CC1CCC(CN1C(=O)Cc2cc(ccc2SC)Br)C(=O)N; C Sc1ccc(Br)cc1CC(=O)N2C[CH](CC[CH]2C)C(N) =O; C[C@@H]1CC[C@H](CN1C(=O)Cc2cc(ccc2SC )Br)C(=O)N; CSc1ccc(Br)cc1CC(=O)N2C[C@@H ](CC[C@H]2C)C(N)=O; O=C(Cc1cc(Br)ccc1SC) N1CC(CCC1C)C(N)=O |
(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide |
| 13730 | A1B6Y | 1 | C22 H23 F3 N4 O | InChI=1S/C22H23F3N4O/c1-1 3(2)11-29(12-18-6-5-17(10 -27-18)22(23,24)25)21(30) 15-4-7-19-16(9-15)8-14(3) 20(26)28-19/h4-10,13H,11- 12H2,1-3H3,(H2,26,28); CSGBHAZUAYOHGC-UHFFFAOYSA-N |
Cc1cc2cc(ccc2nc1N)C(=O)N(CC(C)C)Cc1ccc(c n1)C(F)(F)F; CC(C)CN(Cc1ccc(cn1)C(F)(F)F )C(=O)c2ccc3nc(N)c(C)cc3c2; Cc1cc2cc(ccc 2nc1N)C(=O)N(Cc3ccc(cn3)C(F)(F)F)CC(C)C |
2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide |
| 13731 | A1B70 | 0 | C12 H23 N O5 | InChI=1S/C12H23NO5/c1-12( 2,3)18-11(17)13-7-5-4-6-9 (8-14)10(15)16/h9,14H,4-8 H2,1-3H3,(H,13,17)(H,15,1 6)/t9-/m1/s1; KSKIIYKPZVBNQC-SECBINFHSA-N |
CC(C)(C)OC(=O)NCCCC[CH](CO)C(O)=O; CC(C) (C)OC(=O)NCCCC[C@H](CO)C(=O)O; CC(C)(C)O C(=O)NCCCC[C@H](CO)C(O)=O; CC(C)(C)OC(=O )NCCCCC(CO)C(=O)O |
(2R)-6-[(tert-butoxycarbonyl)amino]-2-(hydroxymethyl)hexanoic acid |
| 13732 | A1B71 | 0 | C12 H23 N O5 | InChI=1S/C12H23NO5/c1-12( 2,3)18-11(17)13-7-5-4-6-9 (8-14)10(15)16/h9,14H,4-8 H2,1-3H3,(H,13,17)(H,15,1 6)/t9-/m0/s1; KSKIIYKPZVBNQC-VIFPVBQESA-N |
CC(C)(C)OC(=O)NCCCC[CH](CO)C(O)=O; CC(C) (C)OC(=O)NCCCCC(CO)C(=O)O; CC(C)(C)OC(=O )NCCCC[C@@H](CO)C(=O)O; CC(C)(C)OC(=O)NC CCC[C@@H](CO)C(O)=O |
(2S)-6-[(tert-butoxycarbonyl)amino]-2-(hydroxymethyl)hexanoic acid |
| 13733 | A1B72 | 1 | C17 H22 N2 O | InChI=1S/C17H22N2O/c1-13( 19-10-6-2-3-7-11-19)17(20 )15-12-18-16-9-5-4-8-14(1 5)16/h4-5,8-9,12-13,18H,2 -3,6-7,10-11H2,1H3/t13-/m 0/s1; OLYBVEMMSRDXDJ-ZDUSSCGKSA-N |
CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3; C[CH ](N1CCCCCC1)C(=O)c2c[nH]c3ccccc23; C[C@H ](N1CCCCCC1)C(=O)c2c[nH]c3ccccc23; C[C@@ H](C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3; CC(C (=O)c1c[NH]c2ccccc21)N1CCCCCC1 |
(2S)-2-(azepan-1-yl)-1-(1H-indol-3-yl)propan-1-one |
| 13734 | A1B73 | 4 | C24 H29 F3 N4 O3 S | InChI=1S/C24H29F3N4O3S/c2 5-24(26,27)18-7-5-16(6-8- 18)20-15-35-21(30-20)12-2 9-23(33)17-3-2-10-31(13-1 7)22(32)14-34-19-4-1-9-28 -11-19/h5-8,15,17,19,28H, 1-4,9-14H2,(H,29,33)/t17- ,19-/m0/s1; OVPLOMYZPJLWSF-HKUYNNGSSA-N |
c1cc(ccc1c2csc(n2)CNC(=O)[C@H]3CCCN(C3)C (=O)CO[C@H]4CCCNC4)C(F)(F)F; O=C(NCc1nc( cs1)c1ccc(cc1)C(F)(F)F)C1CCCN(C1)C(=O)CO C1CCCNC1; c1cc(ccc1c2csc(n2)CNC(=O)C3CCC N(C3)C(=O)COC4CCCNC4)C(F)(F)F; FC(F)(F)c 1ccc(cc1)c2csc(CNC(=O)[CH]3CCCN(C3)C(=O) CO[CH]4CCCNC4)n2; FC(F)(F)c1ccc(cc1)c2cs c(CNC(=O)[C@H]3CCCN(C3)C(=O)CO[C@H]4CCCN C4)n2 |
(3S)-1-({[(3S)-piperidin-3-yl]oxy}acetyl)-N-({4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)piperidine-3-carboxamide |
| 13735 | A1B74 | 4 | C21 H25 N5 O3 S | InChI=1S/C21H25N5O3S/c1-3 -29-25-21(28)26-10-4-5-17 (12-26)19(27)23-14(2)20-2 4-18(13-30-20)16-8-6-15(1 1-22)7-9-16/h6-9,13-14,17 H,3-5,10,12H2,1-2H3,(H,23 ,27)(H,25,28)/t14-,17-/m0 /s1; CCKOXWKPISJJFP-YOEHRIQHSA-N |
CCONC(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C)c 2nc(cs2)c3ccc(cc3)C#N; O=C(NC(C)c1nc(cs1 )c1ccc(C#N)cc1)C1CCCN(C1)C(=O)NOCC; CCON C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C)c2scc (n2)c3ccc(cc3)C#N; CCONC(=O)N1CCCC(C1)C( =O)NC(C)c2nc(cs2)c3ccc(cc3)C#N; CCONC(=O )N1CCC[CH](C1)C(=O)N[CH](C)c2scc(n2)c3cc c(cc3)C#N |
(3S)-N~3~-{(1S)-1-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]ethyl}-N~1~-ethoxypiperidine-1,3-dicarboxamide |
| 13736 | A1B75 | 0 | C19 H29 N3 O4 | InChI=1S/C19H29N3O4/c1-25 -15-6-4-13(5-7-15)11-16-1 8(17(23)12-22-16)26-19(24 )21-10-8-14-3-2-9-20-14/h 4-7,14,16-18,20,22-23H,2- 3,8-12H2,1H3,(H,21,24)/t1 4-,16+,17-,18-/m0/s1; CSTVAFKVKHIYGO-RANZSIQMSA-N |
O=C(OC1C(Cc2ccc(OC)cc2)NCC1O)NCCC1CCCN1; COc1ccc(cc1)C[C@@H]2[C@@H]([C@H](CN2)O) OC(=O)NCC[C@@H]3CCCN3; COc1ccc(C[CH]2NC[ CH](O)[CH]2OC(=O)NCC[CH]3CCCN3)cc1; COc1 ccc(cc1)CC2C(C(CN2)O)OC(=O)NCCC3CCCN3; C Oc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)NCC[ C@@H]3CCCN3)cc1 |
(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl {2-[(2S)-pyrrolidin-2-yl]ethyl}carbamate |
| 13737 | A1B76 | 0 | C20 H23 F N2 O4 | InChI=1S/C20H23FN2O4/c1-2 6-16-7-5-13(6-8-16)10-17- 19(18(24)12-22-17)27-20(2 5)23-11-14-3-2-4-15(21)9- 14/h2-9,17-19,22,24H,10-1 2H2,1H3,(H,23,25)/t17-,18 +,19+/m1/s1; BFWNRLSHJYFEKF-QYZOEREBSA-N |
COc1ccc(cc1)C[C@@H]2[C@@H]([C@H](CN2)O)O C(=O)NCc3cccc(c3)F; O=C(OC1C(Cc2ccc(OC)c c2)NCC1O)NCc1cccc(F)c1; COc1ccc(cc1)CC2C (C(CN2)O)OC(=O)NCc3cccc(c3)F; COc1ccc(C[ C@H]2NC[C@H](O)[C@H]2OC(=O)NCc3cccc(F)c3 )cc1; COc1ccc(C[CH]2NC[CH](O)[CH]2OC(=O) NCc3cccc(F)c3)cc1 |
(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl [(3-fluorophenyl)methyl]carbamate |
| 13738 | A1B77 | 8 | C21 H22 F N5 O | InChI=1S/C21H22FN5O/c1-13 -6-5-7-15(24-13)12-27-21( 28)20-17(10-23-27)16-9-18 (22)14(11-25(2)3)8-19(16) 26(20)4/h5-10H,11-12H2,1- 4H3; PJKMPULWTGCGAQ-UHFFFAOYSA-N |
CN(C)Cc1cc2c(cc1F)c1C=NN(Cc3cccc(C)n3)C( =O)c1n2C; Cc1cccc(n1)CN2C(=O)c3c(c4cc(c( cc4n3C)CN(C)C)F)C=N2; CN(C)Cc1cc2n(C)c3C (=O)N(Cc4cccc(C)n4)N=Cc3c2cc1F |
7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| 13739 | A1B7A | 1 | C30 H37 F3 I N5 O5 S | InChI=1S/C30H37F3IN5O5S/c 1-28(2,3)22(38-27(44)30(3 1,32)33)26(43)39-12-15-19 (29(15,4)5)20(39)24(42)36 -17(10-13-8-9-35-23(13)41 )21(40)25-37-16-11-14(34) 6-7-18(16)45-25/h6-7,11,1 3,15,17,19-22,40H,8-10,12 H2,1-5H3,(H,35,41)(H,36,4 2)(H,38,44)/t13-,15+,17-, 19+,20+,21+,22-/m1/s1; AMWSCQMTJKQAAP-XSQCLQQESA-N |
CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH] 2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH] (O)c4sc5ccc(I)cc5n4)C2(C)C; CC1([C@@H]2[ C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(= O)C(F)(F)F)C(=O)N[C@H](C[C@H]3CCNC3=O)C( c4nc5cc(ccc5s4)I)O)C; CC(C)(C)[C@H](NC(= O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C( =O)N[C@H](C[C@H]3CCNC3=O)[C@H](O)c4sc5cc c(I)cc5n4)C2(C)C; FC(F)(F)C(=O)NC(C(=O)N 1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(I )ccc3s1)C2(C)C)C(C)(C)C; CC1(C2C1C(N(C2) C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(C C3CCNC3=O)C(c4nc5cc(ccc5s4)I)O)C |
(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; TKB-280-5I |
| 13740 | A1B7B | 2 | C30 H37 Br F3 N5 O5 S | InChI=1S/C30H37BrF3N5O5S/ c1-28(2,3)22(38-27(44)30( 32,33)34)26(43)39-12-15-1 9(29(15,4)5)20(39)24(42)3 6-17(10-13-8-9-35-23(13)4 1)21(40)25-37-16-11-14(31 )6-7-18(16)45-25/h6-7,11, 13,15,17,19-22,40H,8-10,1 2H2,1-5H3,(H,35,41)(H,36, 42)(H,38,44)/t13-,15-,17- ,19-,20-,21-,22-/m0/s1; BTXSNAHBFHGNCS-GOHKFJIPSA-N |
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@@H]( C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C @@H]3CCNC3=O)C(c4nc5cc(ccc5s4)Br)O)C; FC (F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1C CNC1=O)C(O)c1nc3cc(Br)ccc3s1)C2(C)C)C(C) (C)C; CC(C)(C)[C@@H](NC(=O)C(F)(F)F)C(=O )N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@ @H]3CCNC3=O)[C@H](O)c4sc5ccc(Br)cc5n4)C2 (C)C; CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC( =O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc (ccc5s4)Br)O)C; CC(C)(C)[CH](NC(=O)C(F)( F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[ CH]3CCNC3=O)[CH](O)c4sc5ccc(Br)cc5n4)C2( C)C |
(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; TKB-276-5Br |
| 13741 | A1B7C | 1 | C30 H37 Cl F3 N5 O5 S | InChI=1S/C30H37ClF3N5O5S/ c1-28(2,3)22(38-27(44)30( 32,33)34)26(43)39-12-15-1 9(29(15,4)5)20(39)24(42)3 6-17(10-13-8-9-35-23(13)4 1)21(40)25-37-16-11-14(31 )6-7-18(16)45-25/h6-7,11, 13,15,17,19-22,40H,8-10,1 2H2,1-5H3,(H,35,41)(H,36, 42)(H,38,44)/t13-,15-,17- ,19-,20-,21-,22+/m0/s1; FKEXGBHYRLJSIN-UDQBHXPNSA-N |
FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC 1CCNC1=O)C(O)c1nc3cc(Cl)ccc3s1)C2(C)C)C( C)(C)C; CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O )[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@ @H](C[C@@H]3CCNC3=O)C(c4nc5cc(ccc5s4)Cl) O)C; CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1 C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O )[CH](O)c4sc5ccc(Cl)cc5n4)C2(C)C; CC1(C2 C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F) C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)Cl)O )C; CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1 C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H] 3CCNC3=O)[C@H](O)c4sc5ccc(Cl)cc5n4)C2(C) C |
(1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; TKB-277-5Cl |
| 13742 | A1B7E | 2 | C20 H28 N4 O S2 | InChI=1S/C20H28N4OS2/c1-2 -17(16-11-7-4-8-12-16)22- 19-23-24-20(27-19)26-14-1 8(25)21-13-15-9-5-3-6-10- 15/h4,7-8,11-12,15,17H,2- 3,5-6,9-10,13-14H2,1H3,(H ,21,25)(H,22,23)/t17-/m1/ s1; HTAOPHYTYWYDAU-QGZVFWFLSA-N |
CCC(c1ccccc1)Nc2nnc(s2)SCC(=O)NCC3CCCCC3 ; O=C(CSc1nnc(NC(CC)c2ccccc2)s1)NCC1CCCC C1; CC[CH](Nc1sc(SCC(=O)NCC2CCCCC2)nn1)c 3ccccc3; CC[C@H](c1ccccc1)Nc2nnc(s2)SCC( =O)NCC3CCCCC3; CC[C@@H](Nc1sc(SCC(=O)NCC 2CCCCC2)nn1)c3ccccc3 |
N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide |
| 13743 | A1B7G | 2 | C40 H48 Cl F3 N8 O5 S | InChI=1S/C40H48ClF3N8O5S/ c1-25-20-29(9-12-34(25)46 -38-45-22-32(40(42,43)44) 36(48-38)52-15-3-14-39(2, 55)24-52)58(56,57)49-27-6 -4-26(5-7-27)23-50-16-18- 51(19-17-50)28-8-10-30(33 (41)21-28)31-11-13-35(53) 47-37(31)54/h8-13,20-22,2 6-27,31,49,55H,3-7,14-19, 23-24H2,1-2H3,(H,45,46,48 )(H,47,53,54)/t26-,27-,31 -,39+/m1/s1; COXCHQJQMCSTQO-DSOOJMGASA-N |
Cc1cc(ccc1Nc2ncc(c(n2)N3CCC[C](C)(O)C3)C (F)(F)F)[S](=O)(=O)N[CH]4CC[CH](CC4)CN5C CN(CC5)c6ccc([CH]7C=CC(=O)NC7=O)c(Cl)c6; Cc1cc(ccc1Nc2ncc(c(n2)N3CCC[C@](C)(O)C3 )C(F)(F)F)[S](=O)(=O)N[C@H]4CC[C@@H](CC4 )CN5CCN(CC5)c6ccc([C@H]7C=CC(=O)NC7=O)c( Cl)c6; CC1(O)CCCN(C1)c1nc(ncc1C(F)(F)F)N c1ccc(cc1C)S(=O)(=O)NC1CCC(CC1)CN1CCN(CC 1)c1ccc(C2C=CC(=O)NC2=O)c(Cl)c1; Cc1cc(c cc1Nc2ncc(c(n2)N3CCCC(C3)(C)O)C(F)(F)F)S (=O)(=O)NC4CCC(CC4)CN5CCN(CC5)c6ccc(c(c6 )Cl)C7C=CC(=O)NC7=O; Cc1cc(ccc1Nc2ncc(c( n2)N3CCC[C@](C3)(C)O)C(F)(F)F)S(=O)(=O)N C4CCC(CC4)CN5CCN(CC5)c6ccc(c(c6)Cl)[C@H] 7C=CC(=O)NC7=O |
N-{(1R,4S)-4-[(4-{3-chloro-4-[(3R)-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-yl]phenyl}piperazin-1-yl)methyl]cyclohexyl}-4-({4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methylbenzene-1-sulfonamide |
| 13744 | A1B7H | 1 | C20 H25 F3 N4 O3 S | InChI=1S/C20H25F3N4O3S/c1 -12-10-14(31(29,30)24-3)4 -5-16(12)26-18-25-11-15(2 0(21,22)23)17(27-18)13-6- 8-19(2,28)9-7-13/h4-5,10- 11,13,24,28H,6-9H2,1-3H3, (H,25,26,27)/t13-,19+; GLZXEFWSDKMSRD-XVDXERDNSA-N |
CNS(=O)(=O)c1ccc(Nc2nc(c(cn2)C(F)(F)F)C2 CCC(C)(O)CC2)c(C)c1; Cc1cc(ccc1Nc2ncc(c( n2)C3CCC(CC3)(C)O)C(F)(F)F)S(=O)(=O)NC; CN[S](=O)(=O)c1ccc(Nc2ncc(c(n2)[CH]3CC[C ](C)(O)CC3)C(F)(F)F)c(C)c1; CN[S](=O)(=O )c1ccc(Nc2ncc(c(n2)[C@H]3CC[C@@](C)(O)CC 3)C(F)(F)F)c(C)c1 |
4-({4-[(1s,4s)-4-hydroxy-4-methylcyclohexyl]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-N,3-dimethylbenzene-1-sulfonamide |
| 13745 | A1B7I | 1 | C8 H16 N2 O12 P2 | InChI=1S/C8H16N2O12P2/c11 -3-9-1-5(22-24(17,18)19)1 0-8-7(13)6(12)4(21-8)2-20 -23(14,15)16/h3-4,6-8,12- 13H,1-2H2,(H,9,11)(H2,14, 15,16)(H2,17,18,19)/b10-5 -/t4-,6-,7-,8-/m1/s1; CEBWTZKPDSCAMA-ONNCWVCWSA-N |
O=P(O)(O)OCC1OC(/N=C(\OP(=O)(O)O)CNC=O)C (O)C1O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C O[P](O)(O)=O)N=C(CNC=O)O[P](O)(O)=O; C(C 1C(C(C(O1)N=C(CNC=O)OP(=O)(O)O)O)O)OP(=O )(O)O; C([C@@H]1[C@H]([C@H]([C@@H](O1)/N =C(/CNC=O)\OP(=O)(O)O)O)O)OP(=O)(O)O; O[ CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N=C( CNC=O)O[P](O)(O)=O |
N-[2-formamido-1-(phosphonooxy)ethylidene]-5-O-phosphono-beta-D-ribofuranosylamine |
| 13746 | A1B7J | 4 | C22 H26 Cl N3 O6 S | InChI=1S/C22H26ClN3O6S/c1 -31-17-5-3-16(4-6-17)14-2 4-22(28)20-15-25(21(27)13 -23)11-12-26(20)33(29,30) 19-9-7-18(32-2)8-10-19/h3 -10,20H,11-15H2,1-2H3,(H, 24,28)/t20-/m1/s1; SXQZEMXQTRNLRZ-HXUWFJFHSA-N |
COc1ccc(CNC(=O)[C@H]2CN(CCN2[S](=O)(=O)c 3ccc(OC)cc3)C(=O)CCl)cc1; COc1ccc(cc1)CN C(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC)C(=O )CCl; COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S( =O)(=O)c3ccc(cc3)OC)C(=O)CCl; O=S(=O)(c1 ccc(OC)cc1)N1CCN(CC1C(=O)NCc1ccc(OC)cc1) C(=O)CCl; COc1ccc(CNC(=O)[CH]2CN(CCN2[S] (=O)(=O)c3ccc(OC)cc3)C(=O)CCl)cc1 |
(2R)-4-(chloroacetyl)-1-(4-methoxybenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide |
| 13747 | A1B7N | 2 | C14 H12 N4 O3 | InChI=1S/C14H12N4O3/c1-7- 5-9-10(6-8(7)2)18(3-4-19) 12-11(15-9)13(20)17-14(21 )16-12/h4-6H,3H2,1-2H3,(H ,17,20,21); AUZWNAFEXXLJDA-UHFFFAOYSA-N |
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC=O ; Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC=O)c2cc1C |
(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde |
| 13748 | A1B7P | 2 | C37 H40 Cl F N8 O2 | InChI=1S/C37H40ClFN8O2/c1 -44-17-6-10-28(44)24-49-3 7-42-32-23-45(33-12-5-8-2 5-7-4-11-30(38)34(25)33)1 8-14-29(32)35(43-37)46-19 -20-47(27(22-46)13-15-40) 36(48)31(39)21-26-9-2-3-1 6-41-26/h2-5,7-9,11-12,16 ,27-28,31H,6,10,13-14,17- 24H2,1H3/t27-,28-,31+/m0/ s1; CDWZWOHAMHBTAX-WAKHXKBOSA-N |
CN1CCC[C@H]1COc2nc3c(c(n2)N4CCN([C@H](C4 )CC#N)C(=O)[C@@H](Cc5ccccn5)F)CCN(C3)c6c ccc7c6c(ccc7)Cl; CN1CCCC1COc2nc3c(c(n2)N 4CCN(C(C4)CC#N)C(=O)C(Cc5ccccn5)F)CCN(C3 )c6cccc7c6c(ccc7)Cl; CN1CCCC1COc1nc2CN(C Cc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(F)Cc1cccc n1)c1cccc2cccc(Cl)c21; CN1CCC[C@H]1COc2n c3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O) [C@H](F)Cc5ccccn5)c6cccc7cccc(Cl)c67; CN 1CCC[CH]1COc2nc3CN(CCc3c(n2)N4CCN([CH](C C#N)C4)C(=O)[CH](F)Cc5ccccn5)c6cccc7cccc (Cl)c67 |
{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(3R)-3-fluoro-3-(pyridin-2-yl)propanoyl]piperazin-2-yl}acetonitrile; {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2Z)-2-fluoro-3-(pyridin-2-yl)prop-2-enoyl]piperazin-2-yl}acetonitrile adduct |
| 13749 | A1B7Q | 1 | C37 H33 F4 N7 O3 S | InChI=1S/C37H33F4N7O3S/c1 -2-24-27(39)5-4-21-14-23( 49)15-25(30(21)24)32-31(4 1)33-26(18-43-32)34(45-36 (44-33)51-20-37-6-3-8-48( 37)19-22(38)17-37)46-9-11 -47(12-10-46)35(50)28(40) 16-29-42-7-13-52-29/h1,4- 5,7,13-15,18,22,28,49H,3, 6,8-12,16-17,19-20H2/t22- ,28+,37+/m1/s1; IAZCUJGKQOHEPZ-ONXHQLSPSA-N |
C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc( n4)OCC56CCCN5CC(C6)F)N7CCN(CC7)C(=O)C(Cc 8nccs8)F)F)F; FC(Cc1nccs1)C(=O)N1CCN(CC1 )c1nc(OCC23CCCN3CC(F)C2)nc2c1cnc(c1cc(O) cc3ccc(F)c(C#C)c31)c2F; Oc1cc2ccc(F)c(C# C)c2c(c1)c3ncc4c(nc(OC[C@@]56CCCN5C[C@H] (F)C6)nc4c3F)N7CCN(CC7)C(=O)[C@@H](F)Cc8 sccn8; C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn 3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C CN(CC7)C(=O)[C@H](Cc8nccs8)F)F)F; Oc1cc2 ccc(F)c(C#C)c2c(c1)c3ncc4c(nc(OC[C]56CCC N5C[CH](F)C6)nc4c3F)N7CCN(CC7)C(=O)[CH]( F)Cc8sccn8 |
(2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one; (2R)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one adduct |
| 13750 | A1B7R | 1 | C18 H14 N4 | InChI=1S/C18H14N4/c1-12-6 -7-17(20-10-12)18-15(11-2 1-22-18)13-8-9-19-16-5-3- 2-4-14(13)16/h2-11H,1H3,( H,21,22); ISYGNOQTBQSKET-UHFFFAOYSA-N |
Cc1ccc(nc1)c2c(c[nH]n2)c3ccnc4c3cccc4; C c1cnc(cc1)c1n[NH]cc1c1ccnc2ccccc21; Cc1c cc(nc1)c2n[nH]cc2c3ccnc4ccccc34 |
(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline |
| 13751 | A1B7S CHEMBL4647072 |
1 | C23 H21 N5 | InChI=1S/C23H21N5/c1-2-4- 19-15-20(6-5-17(19)3-1)23 -21(18-7-9-24-10-8-18)16- 22(26-27-23)28-13-11-25-1 2-14-28/h1-10,15-16,25H,1 1-14H2; QUHUYHMRDJMTMH-UHFFFAOYSA-N |
n1nc(cc(c2ccncc2)c1c1cc2ccccc2cc1)N1CCNC C1; C1CN(CCN1)c2cc(c3ccncc3)c(nn2)c4ccc5 ccccc5c4; c1ccc2cc(ccc2c1)c3c(cc(nn3)N4C CNCC4)c5ccncc5 |
(3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine |
| 13752 | A1B7T | 3 | C20 H14 Cl2 F2 N2 O | InChI=1S/C20H14Cl2F2N2O/c 21-18-5-1-4-14(19(18)22)1 2-26(11-13-3-2-6-25-10-13 )20(27)15-7-16(23)9-17(24 )8-15/h1-10H,11-12H2; RDIHBIADEXQZSH-UHFFFAOYSA-N |
Fc1cc(F)cc(c1)C(=O)N(Cc2cccnc2)Cc3cccc(C l)c3Cl; c1cc(c(c(c1)Cl)Cl)CN(Cc2cccnc2)C (=O)c3cc(cc(c3)F)F; Fc1cc(cc(F)c1)C(=O)N (Cc1cccc(Cl)c1Cl)Cc1cccnc1 |
N-[(2,3-dichlorophenyl)methyl]-3,5-difluoro-N-[(pyridin-3-yl)methyl]benzamide |
| 13753 | A1B7U | 3 | C22 H17 Cl2 F2 N3 O3 | InChI=1S/C22H17Cl2F2N3O3/ c1-27-18-5-12(9-28-20(18) 22(31)32)10-29(11-13-3-2- 4-17(23)19(13)24)21(30)14 -6-15(25)8-16(26)7-14/h2- 9,27H,10-11H2,1H3,(H,31,3 2); OLFOLTQPVNEEKT-UHFFFAOYSA-N |
OC(=O)c1ncc(cc1NC)CN(Cc1cccc(Cl)c1Cl)C(= O)c1cc(F)cc(F)c1; CNc1cc(cnc1C(=O)O)CN(C c2cccc(c2Cl)Cl)C(=O)c3cc(cc(c3)F)F; CNc1 cc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)cc(F)c 3)cnc1C(O)=O |
5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)-3-(methylamino)pyridine-2-carboxylic acid |
| 13754 | A1B7V | 3 | C21 H14 Cl2 F2 N2 O3 | InChI=1S/C21H14Cl2F2N2O3/ c22-17-3-1-2-13(19(17)23) 11-27(10-12-4-5-18(21(29) 30)26-9-12)20(28)14-6-15( 24)8-16(25)7-14/h1-9H,10- 11H2,(H,29,30); XEMOPYVMWRMQKB-UHFFFAOYSA-N |
c1cc(c(c(c1)Cl)Cl)CN(Cc2ccc(nc2)C(=O)O)C (=O)c3cc(cc(c3)F)F; OC(=O)c1ccc(CN(Cc2cc cc(Cl)c2Cl)C(=O)c2cc(F)cc(F)c2)cn1; OC(= O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)c c(F)c3)cn1 |
5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid |
| 13755 | A1B7W CHEMBL4594350 DB15568 |
2 | C32 H35 Cl F N7 O2 | InChI=1S/C32H35ClFN7O2/c1 -21(34)31(42)41-17-16-40( 18-23(41)11-13-35)30-25-1 2-15-39(28-10-4-7-22-6-3- 9-26(33)29(22)28)19-27(25 )36-32(37-30)43-20-24-8-5 -14-38(24)2/h3-4,6-7,9-10 ,23-24H,1,5,8,11-12,14-20 H2,2H3/t23-,24-/m0/s1; PEMUGDMSUDYLHU-ZEQRLZLVSA-N |
CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@ @H](CC#N)C4)C(=O)C(F)=C)c5cccc6cccc(Cl)c 56; CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4CCN( [CH](CC#N)C4)C(=O)C(F)=C)c5cccc6cccc(Cl) c56; CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC# N)N(CC1)C(=O)C(=C)F)c1cccc2cccc(Cl)c21; CN1CCCC1COc2nc3c(c(n2)N4CCN(C(C4)CC#N)C( =O)C(=C)F)CCN(C3)c5cccc6c5c(ccc6)Cl; CN1 CCC[C@H]1COc2nc3c(c(n2)N4CCN([C@H](C4)CC #N)C(=O)C(=C)F)CCN(C3)c5cccc6c5c(ccc6)Cl |
Adagrasib; [(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile; Krazati |
| 13756 | A1B7Y | 2 | C13 H13 F N O4 P | InChI=1S/C13H13FNO4P/c14- 11-4-10-8(6-20(17,18)19)3 -13(16)15-12(10)5-9(11)7- 1-2-7/h3-5,7H,1-2,6H2,(H, 15,16)(H2,17,18,19); OFZWLVDWEQDHFM-UHFFFAOYSA-N |
c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3; O=P(O)(O)CC1=CC(=O)Nc2cc(c(F)cc21)C1CC1 ; O[P](O)(=O)CC1=CC(=O)Nc2cc(C3CC3)c(F)c c12 |
[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| 13757 | A1B80 CHEMBL5598623 |
1 | C25 H24 Cl N5 O3 S | InChI=1S/C25H24ClN5O3S/c1 -15-2-6-20(7-3-15)35(33,3 4)14-28-25(32)24(21-9-18( 26)10-23-22(21)13-29-31-2 3)30-19-5-4-16-11-27-12-1 7(16)8-19/h2-10,13,24,27, 30H,11-12,14H2,1H3,(H,28, 32)(H,29,31)/t24-/m1/s1; LXTWVGVAFKRLDJ-XMMPIXPASA-N |
Cc1ccc(cc1)S(=O)(=O)CNC(=O)C(c2cc(cc3c2c n[nH]3)Cl)Nc4ccc5c(c4)CNC5; Cc1ccc(cc1)[ S](=O)(=O)CNC(=O)[C@H](Nc2ccc3CNCc3c2)c4 cc(Cl)cc5[nH]ncc45; Cc1ccc(cc1)S(=O)(=O) CNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]n cc12; Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H]( c2cc(cc3c2cn[nH]3)Cl)Nc4ccc5c(c4)CNC5; C c1ccc(cc1)[S](=O)(=O)CNC(=O)[CH](Nc2ccc3 CNCc3c2)c4cc(Cl)cc5[nH]ncc45 |
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(4-methylbenzene-1-sulfonyl)methyl]acetamide |
| 13758 | A1B81 CHEMBL5604361 |
2 | C16 H13 N3 O S | InChI=1S/C16H13N3OS/c20-1 6(10-2-4-15-13(5-10)9-18- 21-15)19-14-3-1-11-7-17-8 -12(11)6-14/h1-6,9,17H,7- 8H2,(H,19,20); DYBYRVCDONHDBA-UHFFFAOYSA-N |
O=C(Nc1ccc2CNCc2c1)c3ccc4sncc4c3; O=C(Nc 1cc2CNCc2cc1)c1cc2cnsc2cc1; c1cc2c(cc1C( =O)Nc3ccc4c(c3)CNC4)cns2 |
N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzothiazole-5-carboxamide |
| 13759 | A1B82 CHEMBL5604662 |
1 | C16 H13 Cl N4 O | InChI=1S/C16H13ClN4O/c17- 14-6-13(12-3-4-19-15(12)2 1-14)16(22)20-11-2-1-9-7- 18-8-10(9)5-11/h1-6,18H,7 -8H2,(H,19,21)(H,20,22); RKXOVTZDXJDKEO-UHFFFAOYSA-N |
Clc1cc(C(=O)Nc2ccc3CNCc3c2)c4cc[nH]c4n1; Clc1cc(c2cc[NH]c2n1)C(=O)Nc1ccc2CNCc2c1 ; c1cc2c(cc1NC(=O)c3cc(nc4c3cc[nH]4)Cl)C NC2 |
6-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide |
| 13760 | A1B83 CHEMBL5604944 |
2 | C16 H13 N3 O S | InChI=1S/C16H13N3OS/c20-1 6(15-7-13-14(21-15)2-1-5- 18-13)19-12-4-3-10-8-17-9 -11(10)6-12/h1-7,17H,8-9H 2,(H,19,20); YHOOYPROOXBLEU-UHFFFAOYSA-N |
c1cc2c(cc(s2)C(=O)Nc3ccc4c(c3)CNC4)nc1; O=C(Nc1ccc2CNCc2c1)c3sc4cccnc4c3; O=C(Nc 1cc2CNCc2cc1)c1cc2ncccc2s1 |
N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide |
| 13761 | A1B84 CHEMBL5604760 |
1 | C19 H16 N4 | InChI=1S/C19H16N4/c20-8-1 9(18-12-22-10-14-3-1-2-4- 17(14)18)23-16-6-5-13-9-2 1-11-15(13)7-16/h1-7,10,1 2,19,21,23H,9,11H2/t19-/m 0/s1; PZWUNEFUBRWUPG-IBGZPJMESA-N |
N#CC(Nc1ccc2CNCc2c1)c1cncc2ccccc21; N#C[ CH](Nc1ccc2CNCc2c1)c3cncc4ccccc34; c1ccc 2c(c1)cncc2C(C#N)Nc3ccc4c(c3)CNC4; N#C[C @@H](Nc1ccc2CNCc2c1)c3cncc4ccccc34; c1cc c2c(c1)cncc2[C@H](C#N)Nc3ccc4c(c3)CNC4 |
(2S)-[(2,3-dihydro-1H-isoindol-5-yl)amino](isoquinolin-4-yl)acetonitrile |
| 13762 | A1B85 CHEMBL5604692 |
1 | C20 H23 N5 O | InChI=1S/C20H23N5O/c21-12 -15-5-3-6-16(11-15)23-20( 26)18-7-4-10-25-14-17(22- 19(18)25)13-24-8-1-2-9-24 /h3-7,10-11,14H,1-2,8-9,1 2-13,21H2,(H,23,26); CXFHCSHWVXWGOY-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=O)c2cccn3c2nc(c3)CN4CCCC4 )CN; NCc1cccc(NC(=O)c2cccn3cc(CN4CCCC4)n c23)c1; NCc1cc(ccc1)NC(=O)c1cccn2cc(nc12 )CN1CCCC1 |
(4S)-N-[3-(aminomethyl)phenyl]-2-[(pyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide |
| 13763 | A1B86 CHEMBL5605598 |
1 | C23 H22 Cl N3 O3 | InChI=1S/C23H22ClN3O3/c1- 15(25)17-7-9-20(10-8-17)2 6-22(28)18-11-19(24)13-21 (12-18)27-23(29)30-14-16- 5-3-2-4-6-16/h2-13,15H,14 ,25H2,1H3,(H,26,28)(H,27, 29)/t15-/m1/s1; APASUVIWXFRLJS-OAHLLOKOSA-N |
C[C@@H](N)c1ccc(NC(=O)c2cc(Cl)cc(NC(=O)O Cc3ccccc3)c2)cc1; Clc1cc(cc(NC(=O)OCc2cc ccc2)c1)C(=O)Nc1ccc(cc1)C(C)N; CC(c1ccc( cc1)NC(=O)c2cc(cc(c2)Cl)NC(=O)OCc3ccccc3 )N; C[C@H](c1ccc(cc1)NC(=O)c2cc(cc(c2)Cl )NC(=O)OCc3ccccc3)N; C[CH](N)c1ccc(NC(=O )c2cc(Cl)cc(NC(=O)OCc3ccccc3)c2)cc1 |
benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate |
| 13764 | A1B87 CHEMBL5604977 |
1 | C23 H22 Cl N3 O3 | InChI=1S/C23H22ClN3O3/c24 -19-12-18(22(28)26-20-8-6 -16(7-9-20)10-11-25)13-21 (14-19)27-23(29)30-15-17- 4-2-1-3-5-17/h1-9,12-14H, 10-11,15,25H2,(H,26,28)(H ,27,29); QDSOVDRCRGAQAG-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)Nc2cc(cc(c2)Cl)C(=O)Nc3 ccc(cc3)CCN; NCCc1ccc(NC(=O)c2cc(Cl)cc(N C(=O)OCc3ccccc3)c2)cc1; Clc1cc(cc(NC(=O) OCc2ccccc2)c1)C(=O)Nc1ccc(CCN)cc1 |
benzyl (3-{[4-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate |
| 13765 | A1B88 CHEMBL5605060 |
2 | C23 H22 Cl N3 O3 | InChI=1S/C23H22ClN3O3/c24 -19-12-18(22(28)26-20-8-4 -7-16(11-20)9-10-25)13-21 (14-19)27-23(29)30-15-17- 5-2-1-3-6-17/h1-8,11-14H, 9-10,15,25H2,(H,26,28)(H, 27,29); SZPWXNMMDXBSSA-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)Nc2cc(cc(c2)Cl)C(=O)Nc3 cccc(c3)CCN; Clc1cc(cc(NC(=O)OCc2ccccc2) c1)C(=O)Nc1cc(CCN)ccc1; NCCc1cccc(NC(=O) c2cc(Cl)cc(NC(=O)OCc3ccccc3)c2)c1 |
benzyl (3-{[3-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate |
| 13766 | A1B89 CHEMBL5605526 |
1 | C22 H20 Cl N3 O3 | InChI=1S/C22H20ClN3O3/c23 -18-10-17(21(27)25-19-8-4 -7-16(9-19)13-24)11-20(12 -18)26-22(28)29-14-15-5-2 -1-3-6-15/h1-12H,13-14,24 H2,(H,25,27)(H,26,28); PEGKGNYEDPNPGK-UHFFFAOYSA-N |
Clc1cc(cc(NC(=O)OCc2ccccc2)c1)C(=O)Nc1cc (CN)ccc1; c1ccc(cc1)COC(=O)Nc2cc(cc(c2)C l)C(=O)Nc3cccc(c3)CN; NCc1cccc(NC(=O)c2c c(Cl)cc(NC(=O)OCc3ccccc3)c2)c1 |
benzyl (3-{[3-(aminomethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate |
| 13767 | A1B8A | 0 | C16 H27 N8 O7 P | InChI=1S/C16H27N8O7P/c17- 4-2-1-3-8(18)15(26)23-10- 9(5-30-32(27,28)29)31-16( 12(10)25)24-7-22-11-13(19 )20-6-21-14(11)24/h6-10,1 2,16,25H,1-5,17-18H2,(H,2 3,26)(H2,19,20,21)(H2,27, 28,29)/t8-,9+,10+,12+,16+ /m0/s1; ARAKIZUQYBAJIL-GBPQWNHNSA-N |
NCCCC[C@H](N)C(=O)N[C@H]1[C@@H](O)[C@@H] (O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCCCN)N) O)N; NCCCC[CH](N)C(=O)N[CH]1[CH](O)[CH]( O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23; NC CCCC(N)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c( N)ncnc32)C1O; c1nc(c2c(n1)n(cn2)C3C(C(C( O3)COP(=O)(O)O)NC(=O)C(CCCCN)N)O)N |
3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate) |
| 13768 | A1B8B CHEMBL4639555 |
1 | C20 H21 N5 | InChI=1S/C20H21N5/c1-24-1 1-13-25(14-12-24)19-15-18 (16-7-9-21-10-8-16)20(23- 22-19)17-5-3-2-4-6-17/h2- 10,15H,11-14H2,1H3; CXPCCLCRWYXEET-UHFFFAOYSA-N |
CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccccc4; CN1CCN(CC1)c2cc(c(nn2)c3ccccc3)c4ccncc4 ; CN1CCN(CC1)c1nnc(c2ccccc2)c(c1)c1ccncc 1 |
6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine |
| 13769 | A1B8D | 4 | C20 H16 N4 O5 S | InChI=1S/C20H16N4O5S/c1-2 8-15-8-10-16(11-9-15)30(2 6,27)24-14-5-2-4-13(12-14 )20(25)21-17-6-3-7-18-19( 17)23-29-22-18/h2-12,24H, 1H3,(H,21,25); VFGRBRGSXYSVJQ-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1 cccc2nonc12; COc1ccc(cc1)S(=O)(=O)Nc2ccc c(c2)C(=O)Nc3cccc4c3non4; COc1ccc(cc1)[S ](=O)(=O)Nc2cccc(c2)C(=O)Nc3cccc4nonc34 |
N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide |
| 13770 | A1B8E | 3 | C32 H37 Cl F N7 O2 | InChI=1S/C32H37ClFN7O2/c1 -21(34)31(42)41-17-16-40( 18-23(41)11-13-35)30-25-1 2-15-39(28-10-4-7-22-6-3- 9-26(33)29(22)28)19-27(25 )36-32(37-30)43-20-24-8-5 -14-38(24)2/h3-4,6-7,9-10 ,21,23-24H,5,8,11-12,14-2 0H2,1-2H3/t21-,23+,24+/m1 /s1; BQFJNAAUAQEWHZ-NHTMILBNSA-N |
CC(C(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CC CN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F; CC(C(= O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H ]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F; C[ CH](F)C(=O)N1CCN(C[CH]1CC#N)c2nc(OC[CH]3 CCCN3C)nc4CN(CCc24)c5cccc6cccc(Cl)c56; C N1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC 1)C(=O)C(C)F)c1cccc2cccc(Cl)c21; C[C@@H] (F)C(=O)N1CCN(C[C@@H]1CC#N)c2nc(OC[C@@H] 3CCCN3C)nc4CN(CCc24)c5cccc6cccc(Cl)c56 |
[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile |
| 13771 | A1B8G | 4 | C14 H8 F3 N3 O2 | InChI=1S/C14H8F3N3O2/c15- 14(16,17)9-6-4-8(5-7-9)13 (21)18-10-2-1-3-11-12(10) 20-22-19-11/h1-7H,(H,18,2 1); IPFXWELFHYAXSJ-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc3nonc23; F C(F)(F)c1ccc(cc1)C(=O)Nc1cccc2nonc12; c1 cc2c(c(c1)NC(=O)c3ccc(cc3)C(F)(F)F)non2 |
N-(2,1,3-benzoxadiazol-4-yl)-4-(trifluoromethyl)benzamide |
| 13772 | A1B8H CHEMBL5606226 |
1 | C16 H14 N4 O | InChI=1S/C16H14N4O/c21-16 (13-2-1-3-14-15(13)19-9-1 8-14)20-12-5-4-10-7-17-8- 11(10)6-12/h1-6,9,17H,7-8 H2,(H,18,19)(H,20,21); CACCFMCUTIQAGX-UHFFFAOYSA-N |
O=C(Nc1ccc2CNCc2c1)c3cccc4[nH]cnc34; O=C (Nc1ccc2CNCc2c1)c1cccc2[NH]cnc21; c1cc(c 2c(c1)[nH]cn2)C(=O)Nc3ccc4c(c3)CNC4 |
N-(2,3-dihydro-1H-isoindol-5-yl)-1H-1,3-benzimidazole-4-carboxamide |
| 13773 | A1B8I CHEMBL5604945 |
1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 15-6-10(1-2-11(15)7-18)16 (21)20-14-4-3-12-8-19-9-1 3(12)5-14/h1-6,19H,8-9H2, (H,20,21); ATDUWAOTGSLZQW-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)Nc2ccc3c(c2)CNC3)Cl)C#N; Clc1cc(ccc1C#N)C(=O)Nc2ccc3CNCc3c2; N#Cc 1ccc(cc1Cl)C(=O)Nc1ccc2CNCc2c1 |
3-chloro-4-cyano-N-(2,3-dihydro-1H-isoindol-5-yl)benzamide |
| 13774 | A1B8J CHEMBL5605468 |
2 | C17 H14 F N3 O | InChI=1S/C17H14FN3O/c18-1 5-7-12(5-10-3-4-20-16(10) 15)17(22)21-14-2-1-11-8-1 9-9-13(11)6-14/h1-7,19-20 H,8-9H2,(H,21,22); CFIZJVCNXZYYGZ-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)c3cc4cc[nH]c4c(c3)F)CNC2 ; Fc1cc(cc2cc[nH]c12)C(=O)Nc3ccc4CNCc4c3 ; Fc1cc(cc2cc[NH]c21)C(=O)Nc1ccc2CNCc2c1 |
N-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-1H-indole-5-carboxamide |
| 13775 | A1B8K CHEMBL5605387 |
2 | C15 H13 N5 O | InChI=1S/C15H13N5O/c21-15 (13-6-17-8-14-12(13)7-18- 20-14)19-11-2-1-9-4-16-5- 10(9)3-11/h1-3,6-8,16H,4- 5H2,(H,18,20)(H,19,21); FSWBAJPFWVZQJQ-UHFFFAOYSA-N |
O=C(Nc1cc2CNCc2cc1)c1cncc2[NH]ncc12; O=C (Nc1ccc2CNCc2c1)c3cncc4[nH]ncc34; c1cc2c (cc1NC(=O)c3cncc4c3cn[nH]4)CNC2 |
N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrazolo[3,4-c]pyridine-4-carboxamide |
| 13776 | A1B8L CHEMBL5605786 |
2 | C16 H16 N4 O2 | InChI=1S/C16H16N4O2/c1-10 (21)18-15-4-2-3-14(20-15) 16(22)19-13-6-5-11-8-17-9 -12(11)7-13/h2-7,17H,8-9H 2,1H3,(H,19,22)(H,18,20,2 1); KQBMXRREZCCFEX-UHFFFAOYSA-N |
CC(=O)Nc1cccc(n1)C(=O)Nc1ccc2CNCc2c1; CC (=O)Nc1cccc(n1)C(=O)Nc2ccc3CNCc3c2; CC(= O)Nc1cccc(n1)C(=O)Nc2ccc3c(c2)CNC3 |
6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide |
| 13777 | A1B8M CHEMBL5606121 |
2 | C19 H19 N3 O2 | InChI=1S/C19H19N3O2/c1-19 (2)15-8-11(4-6-16(15)22-1 8(19)24)17(23)21-14-5-3-1 2-9-20-10-13(12)7-14/h3-8 ,20H,9-10H2,1-2H3,(H,21,2 3)(H,22,24); WHUUMKMADJLIFG-UHFFFAOYSA-N |
CC1(C)C(=O)Nc2ccc(cc12)C(=O)Nc3ccc4CNCc4 c3; CC1(c2cc(ccc2NC1=O)C(=O)Nc3ccc4c(c3) CNC4)C; O=C1Nc2ccc(cc2C1(C)C)C(=O)Nc1ccc 2CNCc2c1 |
N-(2,3-dihydro-1H-isoindol-5-yl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
| 13778 | A1B8N CHEMBL5606142 |
1 | C16 H13 N3 O S | InChI=1S/C16H13N3OS/c20-1 6(10-2-4-14-15(6-10)21-9- 18-14)19-13-3-1-11-7-17-8 -12(11)5-13/h1-6,9,17H,7- 8H2,(H,19,20); WOBUXKXPKQOMFV-UHFFFAOYSA-N |
O=C(Nc1ccc2CNCc2c1)c3ccc4ncsc4c3; O=C(Nc 1cc2CNCc2cc1)c1ccc2ncsc2c1; c1cc2c(cc1C( =O)Nc3ccc4c(c3)CNC4)scn2 |
N-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazole-6-carboxamide |
| 13779 | A1B8O CHEMBL5606183 |
1 | C18 H15 Cl N4 O3 | InChI=1S/C18H15ClN4O3/c1- 20-17(24)16(13-4-10(19)5- 15-14(13)7-21-23-15)22-11 -3-2-9-8-26-18(25)12(9)6- 11/h2-7,16,22H,8H2,1H3,(H ,20,24)(H,21,23)/t16-/m1/ s1; HNZZZCIGBNYXEQ-MRXNPFEDSA-N |
Clc1cc(c2cn[NH]c2c1)C(Nc1cc2C(=O)OCc2cc1 )C(=O)NC; CNC(=O)[CH](Nc1ccc2COC(=O)c2c1 )c3cc(Cl)cc4[nH]ncc34; CNC(=O)[C@H](Nc1c cc2COC(=O)c2c1)c3cc(Cl)cc4[nH]ncc34; CNC (=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)C (=O)OC4; CNC(=O)[C@@H](c1cc(cc2c1cn[nH]2 )Cl)Nc3ccc4c(c3)C(=O)OC4 |
(2R)-2-(6-chloro-1H-indazol-4-yl)-N-methyl-2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]acetamide |
| 13780 | A1B8P CHEMBL5605344 |
1 | C26 H27 Cl N4 O4 | InChI=1S/C26H27ClN4O4/c1- 2-34-26(33)24-22(35-14-30 -24)13-29-25(32)23(18-7-1 7(15-3-4-15)8-20(27)9-18) 31-21-6-5-16-11-28-12-19( 16)10-21/h5-10,14-15,23,2 8,31H,2-4,11-13H2,1H3,(H, 29,32)/t23-/m1/s1; FRLHDUHTLWZTQY-HSZRJFAPSA-N |
CCOC(=O)c1ncoc1CNC(=O)[CH](Nc2ccc3CNCc3c 2)c4cc(Cl)cc(c4)C5CC5; CCOC(=O)c1c(ocn1) CNC(=O)C(c2cc(cc(c2)Cl)C3CC3)Nc4ccc5c(c4 )CNC5; CCOC(=O)c1ncoc1CNC(=O)[C@H](Nc2cc c3CNCc3c2)c4cc(Cl)cc(c4)C5CC5; CCOC(=O)c 1c(ocn1)CNC(=O)[C@@H](c2cc(cc(c2)Cl)C3CC 3)Nc4ccc5c(c4)CNC5; CCOC(=O)c1ncoc1CNC(= O)C(Nc1cc2CNCc2cc1)c1cc(cc(Cl)c1)C1CC1 |
ethyl 5-[({(2R)-2-(3-chloro-5-cyclopropylphenyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetyl}amino)methyl]-1,3-oxazole-4-carboxylate |
| 13781 | A1B8Q CHEMBL5598705 |
1 | C15 H12 F N5 O | InChI=1S/C15H12FN5O/c16-1 0-4-12(14-13(5-10)19-21-2 0-14)15(22)18-11-2-1-8-6- 17-7-9(8)3-11/h1-5,17H,6- 7H2,(H,18,22)(H,19,20,21); DHEAQALHKCHLOS-UHFFFAOYSA-N |
Fc1cc2[nH]nnc2c(c1)C(=O)Nc3ccc4CNCc4c3; c1cc2c(cc1NC(=O)c3cc(cc4c3nn[nH]4)F)CNC2 ; O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]nnc12 |
N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide |
| 13782 | A1B8R CHEMBL5605722 |
1 | C17 H13 F3 N4 O | InChI=1S/C17H13F3N4O/c18- 17(19,20)16-23-13-3-1-2-1 2(14(13)24-16)15(25)22-11 -5-4-9-7-21-8-10(9)6-11/h 1-6,21H,7-8H2,(H,22,25)(H ,23,24); MCVXKGRMYLXFIV-UHFFFAOYSA-N |
c1cc(c2c(c1)nc([nH]2)C(F)(F)F)C(=O)Nc3cc c4c(c3)CNC4; FC(F)(F)c1[nH]c2c(cccc2C(=O )Nc3ccc4CNCc4c3)n1; FC(F)(F)c1nc2cccc(c2 [NH]1)C(=O)Nc1ccc2CNCc2c1 |
N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide |
| 13783 | A1B8S CHEMBL5604394 |
1 | C17 H14 Cl N5 O | InChI=1S/C17H14ClN5O/c18- 13-2-4-16(23-10-20-9-21-2 3)15(6-13)17(24)22-14-3-1 -11-7-19-8-12(11)5-14/h1- 6,9-10,19H,7-8H2,(H,22,24 ); LLQKJCZAMTUJAP-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)c3cc(ccc3n4cncn4)Cl)CNC2 ; Clc1cc(c(cc1)n1cncn1)C(=O)Nc1cc2CNCc2c c1; Clc1ccc(n2cncn2)c(c1)C(=O)Nc3ccc4CNC c4c3 |
(2P)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-1,2,4-triazol-1-yl)benzamide |
| 13784 | A1B8T CHEMBL5605366 |
1 | C22 H24 Cl N5 O2 | InChI=1S/C22H24ClN5O2/c23 -15-8-18(19-12-25-28-20(1 9)9-15)21(22(29)27-16-3-5 -30-6-4-16)26-17-2-1-13-1 0-24-11-14(13)7-17/h1-2,7 -9,12,16,21,24,26H,3-6,10 -11H2,(H,25,28)(H,27,29)/ t21-/m1/s1; SXMYZXOHVWFIQO-OAQYLSRUSA-N |
c1cc2c(cc1NC(c3cc(cc4c3cn[nH]4)Cl)C(=O)N C5CCOCC5)CNC2; Clc1cc2[nH]ncc2c(c1)[CH]( Nc3ccc4CNCc4c3)C(=O)NC5CCOCC5; O=C(NC1CC OCC1)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc 21; c1cc2c(cc1N[C@H](c3cc(cc4c3cn[nH]4)C l)C(=O)NC5CCOCC5)CNC2; Clc1cc2[nH]ncc2c( c1)[C@@H](Nc3ccc4CNCc4c3)C(=O)NC5CCOCC5 |
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(oxan-4-yl)acetamide |
| 13785 | A1B8U CHEMBL5604289 |
1 | C16 H14 N4 O2 | InChI=1S/C16H14N4O2/c17-1 5-14-12(2-1-3-13(14)22-20 -15)16(21)19-11-5-4-9-7-1 8-8-10(9)6-11/h1-6,18H,7- 8H2,(H2,17,20)(H,19,21); UAVCUMCKBBBMBV-UHFFFAOYSA-N |
c1cc(c2c(c1)onc2N)C(=O)Nc3ccc4c(c3)CNC4; O=C(Nc1cc2CNCc2cc1)c1cccc2onc(N)c12; Nc 1noc2cccc(C(=O)Nc3ccc4CNCc4c3)c12 |
3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide |
| 13786 | A1B8V CHEMBL5606315 |
1 | C17 H16 N4 O | InChI=1S/C17H16N4O/c1-21- 10-15-14(3-2-4-16(15)20-2 1)17(22)19-13-6-5-11-8-18 -9-12(11)7-13/h2-7,10,18H ,8-9H2,1H3,(H,19,22); PKNKNNODUGYURN-UHFFFAOYSA-N |
Cn1cc2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1; O=C (Nc1cc2CNCc2cc1)c1cccc2nn(C)cc12; Cn1cc2 c(cccc2n1)C(=O)Nc3ccc4c(c3)CNC4 |
N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide |
| 13787 | A1B8W CHEMBL5604344 |
2 | C16 H13 Br N4 O2 | InChI=1S/C16H13BrN4O2/c17 -10-4-12(14-13(5-10)20-16 (23)21-14)15(22)19-11-2-1 -8-6-18-7-9(8)3-11/h1-5,1 8H,6-7H2,(H,19,22)(H2,20, 21,23); ICDGBAJYMSURGO-UHFFFAOYSA-N |
Brc1cc2NC(=O)Nc2c(c1)C(=O)Nc3ccc4CNCc4c3 ; Brc1cc(c2NC(=O)Nc2c1)C(=O)Nc1ccc2CNCc2 c1; c1cc2c(cc1NC(=O)c3cc(cc4c3NC(=O)N4)B r)CNC2 |
6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide |
| 13788 | A1B8X CHEMBL5598854 |
1 | C23 H26 Cl N5 O2 | InChI=1S/C23H26ClN5O2/c24 -17-8-19(20-13-27-29-21(2 0)9-17)22(23(30)26-10-14- 3-5-31-6-4-14)28-18-2-1-1 5-11-25-12-16(15)7-18/h1- 2,7-9,13-14,22,25,28H,3-6 ,10-12H2,(H,26,30)(H,27,2 9)/t22-/m1/s1; OJYCZKWLVHSYSN-JOCHJYFZSA-N |
Clc1cc2[nH]ncc2c(c1)[C@@H](Nc3ccc4CNCc4c 3)C(=O)NCC5CCOCC5; c1cc2c(cc1N[C@H](c3cc (cc4c3cn[nH]4)Cl)C(=O)NCC5CCOCC5)CNC2; C lc1cc2[nH]ncc2c(c1)[CH](Nc3ccc4CNCc4c3)C (=O)NCC5CCOCC5; c1cc2c(cc1NC(c3cc(cc4c3c n[nH]4)Cl)C(=O)NCC5CCOCC5)CNC2; Clc1cc(c 2cn[NH]c2c1)C(Nc1cc2CNCc2cc1)C(=O)NCC1CC OCC1 |
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(oxan-4-yl)methyl]acetamide |
| 13789 | A1B8Y CHEMBL5598901 |
1 | C17 H21 F2 N3 O | InChI=1S/C17H21F2N3O/c1-1 1-5-16(8-17(18,19)9-16)10 -22(11)15(23)21-14-3-2-12 -6-20-7-13(12)4-14/h2-4,1 1,20H,5-10H2,1H3,(H,21,23 ); AJUFHWAMJUHFGK-UHFFFAOYSA-N |
C[C@H]1CC2(CC(C2)(F)F)CN1C(=O)Nc3ccc4c(c 3)CNC4; C[C@H]1CC2(CN1C(=O)Nc3ccc4CNCc4c 3)CC(F)(F)C2; CC1CC2(CC(F)(F)C2)CN1C(=O) Nc1cc2CNCc2cc1; CC1CC2(CC(C2)(F)F)CN1C(= O)Nc3ccc4c(c3)CNC4; C[CH]1CC2(CN1C(=O)Nc 3ccc4CNCc4c3)CC(F)(F)C2 |
(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide |
| 13790 | A1B8Z CHEMBL5598938 |
1 | C18 H15 Cl N4 O | InChI=1S/C18H15ClN4O/c19- 14-2-4-17(23-6-5-20-11-23 )16(8-14)18(24)22-15-3-1- 12-9-21-10-13(12)7-15/h1- 8,11,21H,9-10H2,(H,22,24); KYVJOSVEUDQHNK-UHFFFAOYSA-N |
Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1 ; Clc1ccc(n2ccnc2)c(c1)C(=O)Nc3ccc4CNCc4 c3; c1cc2c(cc1NC(=O)c3cc(ccc3n4ccnc4)Cl) CNC2 |
(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide |
| 13791 | A1B90 | 0 | C20 H38 O4 | InChI=1S/C20H38O4/c21-19( 22)17-15-13-11-9-7-5-3-1- 2-4-6-8-10-12-14-16-18-20 (23)24/h1-18H2,(H,21,22)( H,23,24); JJOJFIHJIRWASH-UHFFFAOYSA-N |
C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O; OC(=O) CCCCCCCCCCCCCCCCCCC(O)=O; O=C(O)CCCCCCCC CCCCCCCCCCC(=O)O |
icosanedioic acid |
| 13792 | A1B92 CHEMBL4650330 DB16733 |
12 | C18 H24 F2 N6 O | InChI=1S/C18H24F2N6O/c1-1 3-4-7-26(24-13)17-22-15(2 1-14-2-5-18(19,20)6-3-14) 12-16(23-17)25-8-10-27-11 -9-25/h4,7,12,14H,2-3,5-6 ,8-11H2,1H3,(H,21,22,23); OVLIDRAJVMUEMC-UHFFFAOYSA-N |
Cc1ccn(n1)c2nc(cc(n2)N3CCOCC3)NC4CCC(CC4 )(F)F; Cc1ccn(n1)c2nc(NC3CCC(F)(F)CC3)cc (n2)N4CCOCC4; FC1(F)CCC(CC1)Nc1cc(nc(n1) n1ccc(C)n1)N1CCOCC1 |
Rimtuzalcap; N-(4,4-difluorocyclohexyl)-2-(3-methyl-1H-pyrazol-1-yl)-6-(morpholin-4-yl)pyrimidin-4-amine |
| 13793 | A1B93 | 1 | C22 H27 N3 O7 S | InChI=1S/C22H27N3O7S/c1-1 0-17(15(9-26)11(2)27)25-1 8(22(31)32)19(10)33-14-7- 16(23-8-14)20(28)24-13-5- 3-4-12(6-13)21(29)30/h3-6 ,9-11,14-17,19,23,27H,7-8 H2,1-2H3,(H,24,28)(H,29,3 0)(H,31,32)/t10-,11-,14+, 15-,16+,17-,19-/m1/s1; RALHTEQYPKBGFO-RNGRAGBPSA-N |
CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2) C(=O)Nc3cccc(c3)C(=O)O; O=C(O)c1cc(ccc1) NC(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C )O)CN1; C[CH](O)[CH](C=O)[CH]1N=C([CH](S [CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[C H]1C)C(O)=O; C[C@H]1[C@H](C(=N[C@H]1[C@H ](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC 2)C(=O)Nc3cccc(c3)C(=O)O; C[C@@H](O)[C@@ H](C=O)[C@@H]1N=C([C@H](S[C@@H]2CN[C@@H] (C2)C(=O)Nc3cccc(c3)C(O)=O)[C@@H]1C)C(O) =O |
(2S,3R,4R)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid; Ertapenem, bound form, post-isomerized, delta-1(R) isomer |
| 13794 | A1B94 | 1 | C61 H101 O9 P | InChI=1S/C61H101O9P/c1-46 (2)23-13-24-47(3)25-14-26 -48(4)27-15-28-49(5)29-16 -30-50(6)31-17-32-51(7)33 -18-34-52(8)35-19-36-53(9 )37-20-38-54(10)39-21-40- 55(11)41-22-42-56(12)43-4 4-68-71(66,67)70-61-60(65 )59(64)58(63)57(45-62)69- 61/h23,25,27,29,31,33,35, 37,39,41,43,57-65H,13-22, 24,26,28,30,32,34,36,38,4 0,42,44-45H2,1-12H3,(H,66 ,67)/b47-25?,48-27?,49-29 ?,50-31?,51-33?,52-35?,53 -37?,54-39?,55-41+,56-43- /t57-,58+,59+,60-,61-/m0/ s1; IGWCSVFNNDSUBK-FJFYDZHOSA-N |
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(= CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C( C(C(C(O1)CO)O)O)O)C)C)C)C)C)C)C)C)C)C)C; CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC( =CCCC(=CCCC(=CCC/C(=C/CC/C(=C\COP(=O)(O) O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO) O)O)O)/C)/C)C)C)C)C)C)C)C)C)C; OP(=O)(OC 1OC(CO)C(O)C(O)C1O)OC\C=C(\C)CC\C=C(/C)C C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C C\C=C(/C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C )=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C )=CCC\C(C)=C\CC\C(C)=C/CO[P](O)(=O)O[C@@ H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)= CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)= CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH] (O)[CH](O)[CH]1O |
undecaprenyl phosphate-glucose |
| 13795 | A1B9A CHEMBL5598863 |
2 | C19 H19 N5 O | InChI=1S/C19H19N5O/c1-24- 18-16(10-21-24)15(7-17(23 -18)11-2-3-11)19(25)22-14 -5-4-12-8-20-9-13(12)6-14 /h4-7,10-11,20H,2-3,8-9H2 ,1H3,(H,22,25); LNYJGWJCZZHSQQ-UHFFFAOYSA-N |
Cn1ncc2c1nc(cc2C(=O)Nc3ccc4CNCc4c3)C5CC5 ; O=C(Nc1cc2CNCc2cc1)c1cc(nc2c1cnn2C)C1C C1; Cn1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc 5c(c4)CNC5 |
6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide |
| 13796 | A1B9B CHEMBL5606056 |
1 | C20 H22 Cl N5 O | InChI=1S/C20H22ClN5O/c1-2 -5-23-20(27)19(16-7-14(21 )8-18-17(16)11-24-26-18)2 5-15-4-3-12-9-22-10-13(12 )6-15/h3-4,6-8,11,19,22,2 5H,2,5,9-10H2,1H3,(H,23,2 7)(H,24,26)/t19-/m1/s1; SXCDIRRWDDNQMG-LJQANCHMSA-N |
CCCNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH ]ncc12; CCCNC(=O)[C@@H](c1cc(cc2c1cn[nH] 2)Cl)Nc3ccc4c(c3)CNC4; CCCNC(=O)[C@H](Nc 1ccc2CNCc2c1)c3cc(Cl)cc4[nH]ncc34; CCCNC (=O)[CH](Nc1ccc2CNCc2c1)c3cc(Cl)cc4[nH]n cc34; CCCNC(=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc 3ccc4c(c3)CNC4 |
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide |
| 13797 | A1B9C CHEMBL5598845 |
2 | C17 H14 Br N3 O | InChI=1S/C17H14BrN3O/c18- 12-6-15(14-3-4-20-16(14)7 -12)17(22)21-13-2-1-10-8- 19-9-11(10)5-13/h1-7,19-2 0H,8-9H2,(H,21,22); BXMKAELKOMHUTP-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)c3cc(cc4c3cc[nH]4)Br)CNC 2; Brc1cc(c2cc[NH]c2c1)C(=O)Nc1ccc2CNCc2 c1; Brc1cc2[nH]ccc2c(c1)C(=O)Nc3ccc4CNCc 4c3 |
6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide |
| 13798 | A1B9D CHEMBL5598615 |
2 | C19 H15 Br N2 O | InChI=1S/C19H15BrN2O/c20- 15-7-12-3-1-2-4-17(12)18( 9-15)19(23)22-16-6-5-13-1 0-21-11-14(13)8-16/h1-9,2 1H,10-11H2,(H,22,23); XJBLHUNGQLAOGU-UHFFFAOYSA-N |
Brc1cc2ccccc2c(c1)C(=O)Nc1ccc2CNCc2c1; c 1ccc2c(c1)cc(cc2C(=O)Nc3ccc4c(c3)CNC4)Br ; Brc1cc2ccccc2c(c1)C(=O)Nc3ccc4CNCc4c3 |
3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide |
| 13799 | A1B9E CHEMBL5598576 |
2 | C21 H22 Cl F2 N3 O | InChI=1S/C21H22ClF2N3O/c2 2-17-6-14(12-1-2-12)5-15( 7-17)20(21(28)26-11-19(23 )24)27-18-4-3-13-9-25-10- 16(13)8-18/h3-8,12,19-20, 25,27H,1-2,9-11H2,(H,26,2 8)/t20-/m1/s1; ZBDKUHJVDDPOHR-HXUWFJFHSA-N |
c1cc2c(cc1N[C@H](c3cc(cc(c3)Cl)C4CC4)C(= O)NCC(F)F)CNC2; FC(F)CNC(=O)[CH](Nc1ccc2 CNCc2c1)c3cc(Cl)cc(c3)C4CC4; FC(F)CNC(=O )[C@H](Nc1ccc2CNCc2c1)c3cc(Cl)cc(c3)C4CC 4; c1cc2c(cc1NC(c3cc(cc(c3)Cl)C4CC4)C(=O )NCC(F)F)CNC2; FC(F)CNC(=O)C(Nc1ccc2CNCc 2c1)c1cc(cc(Cl)c1)C1CC1 |
(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide |
| 13800 | A1B9F CHEMBL5598786 |
2 | C16 H13 F N4 O | InChI=1S/C16H13FN4O/c17-1 1-4-13(14-8-19-21-15(14)5 -11)16(22)20-12-2-1-9-6-1 8-7-10(9)3-12/h1-5,8,18H, 6-7H2,(H,19,21)(H,20,22); UHVFGIOFMTYLJX-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)c3cc(cc4c3cn[nH]4)F)CNC2 ; Fc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4c3 ; O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]ncc12 |
N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide |