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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 13401 |  A1AVV |
1 | C16 H14 N2 O | InChI=1S/C16H14N2O/c1-12( 19)18-16-9-7-13(8-10-16)5 -6-14-3-2-4-15(17)11-14/h 2-4,7-11H,17H2,1H3,(H,18, 19); GDYCMPAYKROXHM-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N; O=C(C)N c1ccc(cc1)C#Cc1cccc(N)c1; CC(=O)Nc1ccc(c c1)C#Cc2cccc(N)c2 |
N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide |
| 13402 |  A1AVW |
1 | C25 H25 Cl F3 N5 O5 S2 | InChI=1S/C25H25ClF3N5O5S2 /c1-32(40(2,36)37)21-6-4- 3-5-20(21)24(35)30-18-7-9 -19(10-8-18)41(38,39)34-1 3-11-33(12-14-34)23-16-17 (25(27,28)29)15-22(26)31- 23/h3-10,15-16H,11-14H2,1 -2H3,(H,30,35); PUPVGVXYYARGHV-UHFFFAOYSA-N |
O=S(=O)(c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O) =O)cc1)N1CCN(CC1)c1cc(cc(Cl)n1)C(F)(F)F; CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3C CN(CC3)c4cc(cc(n4)Cl)C(F)(F)F)S(=O)(=O)C ; CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O) N3CCN(CC3)c4cc(cc(Cl)n4)C(F)(F)F)[S](C)( =O)=O |
N-(4-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}phenyl)-2-[(methanesulfonyl)(methyl)amino]benzamide |
| 13403 |  A1AVX |
1 | C27 H27 Cl F3 N5 O5 S2 | InChI=1S/C27H27ClF3N5O5S2 /c1-33(42(2,38)39)23-6-4- 3-5-21(23)26(37)36-10-9-1 8-15-20(7-8-22(18)36)43(4 0,41)35-13-11-34(12-14-35 )25-17-19(27(29,30)31)16- 24(28)32-25/h3-8,15-17H,9 -14H2,1-2H3; BHCIQFNNIMCVKI-UHFFFAOYSA-N |
CN(c1ccccc1C(=O)N2CCc3cc(ccc23)[S](=O)(= O)N4CCN(CC4)c5cc(cc(Cl)n5)C(F)(F)F)[S](C )(=O)=O; CN(c1ccccc1C(=O)N2CCc3c2ccc(c3) S(=O)(=O)N4CCN(CC4)c5cc(cc(n5)Cl)C(F)(F) F)S(=O)(=O)C; O=S(=O)(c1cc2CCN(C(=O)c3cc ccc3N(C)S(C)(=O)=O)c2cc1)N1CCN(CC1)c1cc( cc(Cl)n1)C(F)(F)F |
N-[2-(5-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indole-1-carbonyl)phenyl]-N-methylmethanesulfonamide |
| 13404 |  A1AVY |
1 | C20 H21 F3 N4 O3 S | InChI=1S/C20H21F3N4O3S/c1 -14(28)27-8-7-15-13-16(5- 6-17(15)27)31(29,30)26-11 -9-25(10-12-26)19-4-2-3-1 8(24-19)20(21,22)23/h2-6, 13H,7-12H2,1H3; LPPSOZAQNMLFLJ-UHFFFAOYSA-N |
CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC 3)c4cccc(n4)C(F)(F)F; CC(=O)N1CCc2c1ccc( c2)S(=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F ; O=S(=O)(c1cc2CCN(C(C)=O)c2cc1)N1CCN(CC 1)c1cccc(n1)C(F)(F)F |
1-(5-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| 13405 |  A1AVZ |
1 | C20 H21 F3 N4 O3 S | InChI=1S/C20H21F3N4O3S/c1 -14(28)27-7-5-15-12-17(2- 3-18(15)27)31(29,30)26-10 -8-25(9-11-26)19-13-16(4- 6-24-19)20(21,22)23/h2-4, 6,12-13H,5,7-11H2,1H3; LBWCXUCUAQGUSG-UHFFFAOYSA-N |
O=S(=O)(c1cc2CCN(C(C)=O)c2cc1)N1CCN(CC1) c1cc(ccn1)C(F)(F)F; CC(=O)N1CCc2c1ccc(c2 )S(=O)(=O)N3CCN(CC3)c4cc(ccn4)C(F)(F)F; CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC 3)c4cc(ccn4)C(F)(F)F |
1-(5-{4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| 13406 |  A1AW0 |
1 | C5 H7 N O S2 | InChI=1S/C5H7NOS2/c1-2-6- 4(7)3-9-5(6)8/h2-3H2,1H3; UPCYEFFISUGBRW-UHFFFAOYSA-N |
S=C1SCC(=O)N1CC; CCN1C(=O)CSC1=S | 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| 13407 |  A1AW1 |
2 | C7 H5 Cl F3 N O2 S | InChI=1S/C7H5ClF3NO2S/c8- 5-3-4(7(9,10)11)1-2-6(5)1 5(12,13)14/h1-3H,(H2,12,1 3,14); ZKBZHFCXIXOBTJ-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(cc1Cl)C(F)(F)F; c1cc(c (cc1C(F)(F)F)Cl)S(=O)(=O)N; O=S(N)(=O)c1 ccc(cc1Cl)C(F)(F)F |
2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide |
| 13408 |  A1AW2 |
1 | C12 H17 Br N2 | InChI=1S/C12H17BrN2/c13-1 2-4-2-11(3-5-12)10-15-8-1 -6-14-7-9-15/h2-5,14H,1,6 -10H2; PUTBARDRYLXING-UHFFFAOYSA-N |
Brc1ccc(CN2CCCNCC2)cc1; c1cc(ccc1CN2CCCN CC2)Br |
1-[(4-bromophenyl)methyl]-1,4-diazepane |
| 13409 |  A1AW3 |
1 | C10 H17 N O2 | InChI=1S/C10H17NO2/c12-9( 11-13)10-5-1-3-8(7-10)4-2 -6-10/h8,13H,1-7H2,(H,11, 12)/t8-,10+; SYGQFNJAPFGWCF-WAAGHKOSSA-N |
C1CC2CCCC(C1)(C2)C(=O)NO; ONC(=O)C12CCCC (CCC1)C2 |
(1s,5s)-N-hydroxybicyclo[3.3.1]nonane-1-carboxamide |
| 13410 |  A1AW4 CHEMBL3127518 |
1 | C9 H10 N2 O | InChI=1S/C9H10N2O/c12-9(7 -1-2-7)11-8-3-5-10-6-4-8/ h3-7H,1-2H2,(H,10,11,12); GDEWBNVTMKLWQJ-UHFFFAOYSA-N |
O=C(Nc1ccncc1)C2CC2; O=C(Nc1ccncc1)C1CC1 ; c1cnccc1NC(=O)C2CC2 |
N-(pyridin-4-yl)cyclopropanecarboxamide |
| 13411 |  A1AW5 |
2 | C10 H10 Br N O | InChI=1S/C10H10BrNO/c1-12 -9-4-3-8(11)6-7(9)2-5-10( 12)13/h3-4,6H,2,5H2,1H3; NJZZUBLIVYKUJM-UHFFFAOYSA-N |
CN1C(=O)CCc2cc(Br)ccc12; CN1c2ccc(cc2CCC 1=O)Br; Brc1ccc2c(CCC(=O)N2C)c1 |
6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one |
| 13412 |  A1AW6 |
1 | C10 H17 N O | InChI=1S/C10H17NO/c11-9(1 2)10-5-1-3-8(7-10)4-2-6-1 0/h8H,1-7H2,(H2,11,12)/t8 -,10+; WWUUCPQLPWUUNO-WAAGHKOSSA-N |
C1CC2CCCC(C1)(C2)C(=O)N; NC(=O)C12CCCC(C CC1)C2 |
(1s,5s)-bicyclo[3.3.1]nonane-1-carboxamide |
| 13413 |  A1AW7 |
2 | C9 H12 Br N O | InChI=1S/C9H12BrNO/c1-11( 2)6-7-5-8(12)3-4-9(7)10/h 3-5,12H,6H2,1-2H3; ZOJBOFJPDLZFEG-UHFFFAOYSA-N |
CN(C)Cc1cc(ccc1Br)O; CN(C)Cc1cc(O)ccc1Br ; Brc1ccc(O)cc1CN(C)C |
4-bromo-3-[(dimethylamino)methyl]phenol |
| 13414 |  A1AW8 |
1 | C12 H11 F2 N O2 | InChI=1S/C12H11F2NO2/c1-7 -4-11(16)15(12(17)5-7)10- 3-2-8(13)6-9(10)14/h2-3,6 -7H,4-5H2,1H3; AZZBPDLRDYEBGU-UHFFFAOYSA-N |
Fc1cc(F)c(cc1)N1C(=O)CC(C)CC1=O; CC1CC(= O)N(C(=O)C1)c2ccc(cc2F)F; CC1CC(=O)N(C(= O)C1)c2ccc(F)cc2F |
(1m)-1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione |
| 13415 |  A1AW9 |
2 | C12 H22 N2 O S | InChI=1S/C12H22N2OS/c1-2- 10(7-15)13-12(16)14-11-6- 8-3-4-9(11)5-8/h8-11,15H, 2-7H2,1H3,(H2,13,14,16)/t 8-,9-,10?,11+/m1/s1; YQMXYJDDIUYATG-RRXGQLPOSA-N |
CC[CH](CO)NC(=S)N[CH]1C[CH]2CC[CH]1C2; C CC(CO)NC(=S)NC1CC2CCC1C2; CC[C@H](CO)NC( =S)N[C@@H]1C[C@@H]2CC[C@H]1C2 |
N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2S)-1-hydroxybutan-2-yl]thiourea |
| 13416 |  A1AWA |
2 | C24 H30 N4 O4 | InChI=1S/C24H30N4O4/c1-15 (2)10-20(23(30)26-17(14-2 9)11-16-6-5-9-25-13-16)28 -24(31)21-12-18-19(27-21) 7-4-8-22(18)32-3/h4-9,12- 13,15,17,20,27,29H,10-11, 14H2,1-3H3,(H,26,30)(H,28 ,31)/t17-,20-/m0/s1; NWPCWGMKYVMQIN-PXNSSMCTSA-N |
COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C( =O)N[CH](CO)Cc3cccnc3; COc1cccc2[nH]c(cc 12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc 3cccnc3; CC(C)C[C@@H](C(=O)N[C@@H](Cc1cc cnc1)CO)NC(=O)c2cc3c([nH]2)cccc3OC; CC(C )CC(C(=O)NC(Cc1cccnc1)CO)NC(=O)c2cc3c([n H]2)cccc3OC; OCC(Cc1cccnc1)NC(=O)C(CC(C) C)NC(=O)c1cc2c(cccc2OC)[NH]1 |
N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
| 13417 |  A1AWB |
2 | C26 H32 N4 O4 | InChI=1S/C26H32N4O4/c31-1 6-20(14-19-10-6-12-27-24( 19)32)28-25(33)22(13-17-7 -2-1-3-8-17)30-26(34)23-1 5-18-9-4-5-11-21(18)29-23 /h4-6,9-12,15,17,20,22,29 ,31H,1-3,7-8,13-14,16H2,( H,27,32)(H,28,33)(H,30,34 )/t20-,22-/m0/s1; BEPKWHDIWRTACY-UNMCSNQZSA-N |
c1ccc2c(c1)cc([nH]2)C(=O)NC(CC3CCCCC3)C( =O)NC(CC4=CC=CNC4=O)CO; OC[CH](CC1=CC=CN C1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4 ccccc4c3; O=C1NC=CC=C1CC(CO)NC(=O)C(CC1C CCCC1)NC(=O)c1cc2ccccc2[NH]1; c1ccc2c(c1 )cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[ C@@H](CC4=CC=CNC4=O)CO; OC[C@H](CC1=CC=C NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)c3[nH] c4ccccc4c3 |
N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide |
| 13418 |  A1AWC |
1 | C30 H35 N5 O3 | InChI=1S/C30H35N5O3/c31-2 8(32)33-12-5-1-2-6-13-35- 14-11-29-24-19-9-10-22(36 )26(24)38-27(29)25-20(17- 30(29,37)23(35)16-19)15-1 8-7-3-4-8-21(18)34-25/h3- 4,7-10,15,23,27,36-37H,1- 2,5-6,11-14,16-17H2,(H4,3 1,32,33)/t23-,27+,29+,30- /m1/s1; OXALQPRDLLCJNB-ANYDQABYSA-N |
c1ccc2c(c1)cc3c(n2)C4C56CCN(C(C5(C3)O)Cc 7c6c(c(cc7)O)O4)CCCCCCNC(=N)N; NC(=N)NCC CCCCN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2( O)Cc6cc7ccccc7nc46)c35; [H]/N=C(/N)\NCCC CCCN1CC[C@]23c4c5ccc(c4O[C@H]2c6c(cc7ccc cc7n6)C[C@]3([C@H]1C5)O)O; NC(=N)NCCCCCC N1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2 (O)Cc6cc7ccccc7nc46)c35; N=C(N)NCCCCCCN1 CCC23c4c5OC2c2nc6ccccc6cc2CC3(O)C1Cc4ccc 5O |
N-{6-[(4bS,8R,8aS,15bR)-1,8a-dihydroxy-5,6,8,8a,9,15b-hexahydro-7H-4,8-methano[1]benzofuro[3,2-c]pyrido[3,4-b]acridin-7-yl]hexyl}guanidine |
| 13419 |  A1AWD |
1 | C29 H33 N5 O3 | InChI=1S/C29H33N5O3/c30-2 7(31)32-11-4-1-5-12-34-13 -10-28-23-18-8-9-21(35)25 (23)37-26(28)24-19(16-29( 28,36)22(34)15-18)14-17-6 -2-3-7-20(17)33-24/h2-3,6 -9,14,22,26,35-36H,1,4-5, 10-13,15-16H2,(H4,30,31,3 2)/t22-,26+,28+,29-/m1/s1; WEQLQEBFUICRPW-KFDULEKRSA-N |
N=C(N)NCCCCCN1CCC23c4c5OC2c2nc6ccccc6cc2 CC3(O)C1Cc4ccc5O; NC(=N)NCCCCCN1CC[C]23[ CH]4Oc5c(O)ccc(C[CH]1[C]2(O)Cc6cc7ccccc7 nc46)c35; NC(=N)NCCCCCN1CC[C@]23[C@H]4Oc 5c(O)ccc(C[C@@H]1[C@]2(O)Cc6cc7ccccc7nc4 6)c35; [H]/N=C(/N)\NCCCCCN1CC[C@]23c4c5c cc(c4O[C@H]2c6c(cc7ccccc7n6)C[C@]3([C@H] 1C5)O)O; c1ccc2c(c1)cc3c(n2)C4C56CCN(C(C 5(C3)O)Cc7c6c(c(cc7)O)O4)CCCCCNC(=N)N |
N-{5-[(4bS,8R,8aS,15bR)-1,8a-dihydroxy-5,6,8,8a,9,15b-hexahydro-7H-4,8-methano[1]benzofuro[3,2-c]pyrido[3,4-b]acridin-7-yl]pentyl}guanidine |
| 13420 |  A1AWE |
2 | C12 H13 N O6 S | InChI=1S/C12H13NO6S/c1-8( 20-3-2-17-6-14)9-4-11-12( 19-7-18-11)5-10(9)13(15)1 6/h4-6,8H,2-3,7H2,1H3/t8- /m1/s1; OAPSBASJSSKBSD-MRVPVSSYSA-N |
CC(c1cc2c(cc1[N+](=O)[O-])OCO2)SCCOC=O; C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)SCCOC =O; C[CH](SCCOC=O)c1cc2OCOc2cc1[N+]([O-] )=O; C[C@@H](SCCOC=O)c1cc2OCOc2cc1[N+]([ O-])=O; CC(SCCOC=O)c1cc2OCOc2cc1[N+]([O- ])=O |
2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate |
| 13421 |  A1AWF |
2 | C20 H36 O5 | InChI=1S/C20H36O5/c1-7-17 (22)12(2)8-9-18(23)13(3)1 0-14(4)19(24)16(6)20(25)1 5(5)11-21/h11-17,19,22,24 H,7-10H2,1-6H3/t12-,13-,1 4+,15+,16-,17-,19+/m1/s1; LWRZYDNPGZEYIZ-AEUCKGDRSA-N |
CC[CH](O)[CH](C)CCC(=O)[CH](C)C[CH](C)[C H](O)[CH](C)C(=O)[CH](C)C=O; CCC(C(C)CCC (=O)C(C)CC(C)C(C(C)C(=O)C(C)C=O)O)O; CC( CC(C)C(=O)CCC(C)C(O)CC)C(O)C(C)C(=O)C(C) C=O; CC[C@H]([C@H](C)CCC(=O)[C@H](C)C[C@ H](C)[C@@H]([C@@H](C)C(=O)[C@@H](C)C=O)O )O; CC[C@@H](O)[C@H](C)CCC(=O)[C@H](C)C[ C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C= O |
(2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal |
| 13422 |  A1AWG |
1 | C32 H33 N5 O4 | InChI=1S/C32H33N5O4/c1-22 (20-25-11-6-10-23-8-2-4-1 3-27(23)25)34-32(41)28-14 -5-3-9-24(28)15-16-30(39) 36-37-31(40)18-17-29(38)3 5-26-12-7-19-33-21-26/h2- 14,19,21-22H,15-18,20H2,1 H3,(H,34,41)(H,35,38)(H,3 6,39)(H,37,40)/t22-/m1/s1; RUTWXOPIDMUTLS-JOCHJYFZSA-N |
CC(Cc1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O) NNC(=O)CCC(=O)Nc4cccnc4; C[CH](Cc1cccc2c cccc12)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(= O)Nc4cccnc4; C[C@H](Cc1cccc2c1cccc2)NC(= O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4 ; O=C(Nc1cccnc1)CCC(=O)NNC(=O)CCc1ccccc1 C(=O)NC(C)Cc1cccc2ccccc21; C[C@H](Cc1ccc c2ccccc12)NC(=O)c3ccccc3CCC(=O)NNC(=O)CC C(=O)Nc4cccnc4 |
N-[(2R)-1-(naphthalen-1-yl)propan-2-yl]-2-[3-oxo-3-(2-{4-oxo-4-[(pyridin-3-yl)amino]butanoyl}hydrazin-1-yl)propyl]benzamide |
| 13423 |  A1AWQ CHEMBL1454050 |
1 | C9 H9 N3 O3 | InChI=1S/C9H9N3O3/c1-5-3- 7(13)12-8(11-5)6(4-10-12) 9(14)15-2/h3-4,13H,1-2H3; GISGVQCKVJJCFU-UHFFFAOYSA-N |
Cc1cc(n2c(n1)c(cn2)C(=O)OC)O; O=C(OC)c1c nn2c(O)cc(C)nc12; COC(=O)c1cnn2c(O)cc(C) nc12 |
methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
| 13424 |  A1AWR |
11 | C29 H34 Cl F4 N7 O2 | InChI=1S/C29H34ClF4N7O2/c 1-5-21(42)40-9-10-41(16(3 )13-40)27-18-12-19(30)22( 26-23(29(32,33)34)15(2)11 -20(35)36-26)24(31)25(18) 37-28(38-27)43-14-17-7-6- 8-39(17)4/h11-12,16-17H,5 -10,13-14H2,1-4H3,(H2,35, 36)/t16-,17-/m0/s1; QEAJZIRHKLXVLR-IRXDYDNUSA-N |
CN1CCCC1COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)( F)F)c(Cl)cc2c(n1)N1CCN(CC1C)C(=O)CC; CCC (=O)N1CCN([CH](C)C1)c2nc(OC[CH]3CCCN3C)n c4c(F)c(c(Cl)cc24)c5nc(N)cc(C)c5C(F)(F)F ; CCC(=O)N1CCN(C(C1)C)c2c3cc(c(c(c3nc(n2 )OCC4CCCN4C)F)c5c(c(cc(n5)N)C)C(F)(F)F)C l; CCC(=O)N1CCN([C@H](C1)C)c2c3cc(c(c(c3 nc(n2)OC[C@@H]4CCCN4C)F)c5c(c(cc(n5)N)C) C(F)(F)F)Cl; CCC(=O)N1CCN([C@@H](C)C1)c2 nc(OC[C@@H]3CCCN3C)nc4c(F)c(c(Cl)cc24)c5 nc(N)cc(C)c5C(F)(F)F |
1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one; divarasib, bound form |
| 13425 |  A1AWS |
0 | C12 H11 N3 O2 | InChI=1S/C12H11N3O2/c13-5 -7-2-1-3-10-11(7)8(6-15-1 0)4-9(14)12(16)17/h1-3,6, 9,15H,4,14H2,(H,16,17)/t9 -/m0/s1; UOPSYGYZOBPCLD-VIFPVBQESA-N |
O=C(O)C(N)Cc1c[NH]c2cccc(C#N)c21; N[CH]( Cc1c[nH]c2cccc(C#N)c12)C(O)=O; N[C@@H](C c1c[nH]c2cccc(C#N)c12)C(O)=O; c1cc(c2c(c 1)[nH]cc2C[C@@H](C(=O)O)N)C#N; c1cc(c2c( c1)[nH]cc2CC(C(=O)O)N)C#N |
4-cyano-L-tryptophan |
| 13426 |  A1AWT CHEMBL4852061 |
2 | C17 H15 F3 N6 O2 | InChI=1S/C17H15F3N6O2/c1- 10(17(18,19)20)26-9-22-25 -14(26)12-6-3-7-13(23-12) 24-15(27)11-5-4-8-21-16(1 1)28-2/h3-10H,1-2H3,(H,23 ,24,27)/t10-/m0/s1; WLEICJLPZWEFTH-JTQLQIEISA-N |
CC(C(F)(F)F)n1cnnc1c2cccc(n2)NC(=O)c3ccc nc3OC; C[C@@H](C(F)(F)F)n1cnnc1c2cccc(n2 )NC(=O)c3cccnc3OC; FC(F)(F)C(C)n1cnnc1c1 cccc(NC(=O)c2cccnc2OC)n1; COc1ncccc1C(=O )Nc2cccc(n2)c3nncn3[C@@H](C)C(F)(F)F; CO c1ncccc1C(=O)Nc2cccc(n2)c3nncn3[CH](C)C( F)(F)F |
2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide |
| 13427 |  A1AWU |
2 | C20 H25 N10 O11 P | InChI=1S/C20H25N10O11P/c2 1-14-8-15(24-3-23-14)29(4 -25-8)18-12(34)10(32)7(40 -18)2-38-42(36,37)41-13-1 1(33)6(1-31)39-19(13)30-5 -26-9-16(30)27-20(22)28-1 7(9)35/h3-7,10-13,18-19,3 1-34H,1-2H2,(H,36,37)(H2, 21,23,24)(H3,22,27,28,35); ZLNKIMYMVZHDPX-UHFFFAOYSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]( O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[C H]4O)n5cnc6c(N)ncnc56; c1nc(c2c(n1)n(cn2 )C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5 N=C(NC6=O)N)CO)O)O)O)N; NC1=Nc2n(cnc2C(= O)N1)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[P] (O)(=O)OC[C@H]4O[C@@H]([C@H](O)[C@H]4O)n 5cnc6c(N)ncnc56; NC1=Nc2c(ncn2C2OC(CO)C( O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O )C2O)C(=O)N1; c1nc(c2c(n1)n(cn2)[C@@H]3[ C@@H]([C@H]([C@H](O3)COP(=O)(O)O[C@@H]4[ C@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO )O)O)O)N |
[(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate |
| 13428 |  A1AWV CHEMBL3991932 DB16294 |
2 | C31 H33 F N6 O3 | InChI=1S/C31H33FN6O3/c1-2 0-5-8-24(9-6-20)38-29(17- 28(36-38)31(2,3)4)35-30(4 0)33-18-22-15-23(32)7-12- 27(22)41-25-10-11-26-21(1 6-25)19-34-37(26)13-14-39 /h5-12,15-17,19,39H,13-14 ,18H2,1-4H3,(H2,33,35,40); LNMRSSIMGCDUTP-UHFFFAOYSA-N |
OCCn1ncc2cc(ccc21)Oc1ccc(F)cc1CNC(=O)Nc1 cc(nn1c1ccc(C)cc1)C(C)(C)C; Cc1ccc(cc1)n 2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4cc c5c(c4)cnn5CCO)F; Cc1ccc(cc1)n2nc(cc2NC( =O)NCc3cc(F)ccc3Oc4ccc5n(CCO)ncc5c4)C(C) (C)C |
Pexmetinib; N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea |
| 13429 |  A1AWW |
4 | C28 H50 N4 O10 S | InChI=1S/C28H50N4O10S/c1- 2-3-4-5-7-10-13-22(32(41) 42)23(14-11-8-6-9-12-15-2 5(34)35)43-19-21(27(38)30 -18-26(36)37)31-24(33)17- 16-20(29)28(39)40/h20-23H ,2-19,29H2,1H3,(H,30,38)( H,31,33)(H,34,35)(H,36,37 )(H,39,40)/t20-,21-,22-,2 3+/m0/s1; LLKWVZVREBBXRU-CWBXHPNXSA-N |
CCCCCCCC[CH]([CH](CCCCCCCC(O)=O)SC[CH](N C(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[N+]( [O-])=O; CCCCCCCCC(C(CCCCCCCC(=O)O)SCC(C (=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O) [O-]; CCCCCCCC[C@@H]([C@@H](CCCCCCCC(O)= O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NC C(O)=O)[N+]([O-])=O; O=C(NC(CSC(CCCCCCCC (=O)O)C(CCCCCCCC)[N+]([O-])=O)C(=O)NCC(= O)O)CCC(N)C(=O)O; CCCCCCCC[C@@H]([C@@H]( CCCCCCCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC( =O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] |
L-gamma-glutamyl-S-[(8R,9S)-1-carboxy-9-nitroheptadecan-8-yl]-L-cysteinylglycine |
| 13430 |  A1AWY |
7 | C3 H3 Br O3 | InChI=1S/C3H3BrO3/c4-2(5) 1-3(6)7/h1H2,(H,6,7); RSZXDOPLBKMETA-UHFFFAOYSA-N |
BrC(=O)CC(=O)O; OC(=O)CC(Br)=O; C(C(=O)O )C(=O)Br |
3-bromo-3-oxopropanoic acid |
| 13431 |  A1AWZ CHEMBL5618917 |
1 | C29 H24 F5 N5 O3 | InChI=1S/C29H24F5N5O3/c1- 27(2,40)20-13-23(36-26(24 (20)31)16-6-8-19(30)9-7-1 6)28(41,29(32,33)34)15-39 -14-21(37-38-39)18-11-17- 5-4-10-35-25(17)22(12-18) 42-3/h4-14,40-41H,15H2,1- 3H3/t28-/m0/s1; NMKUMDYBGSDRRI-NDEPHWFRSA-N |
COc1cc(cc2cccnc12)c3cn(C[C](O)(c4cc(c(F) c(n4)c5ccc(F)cc5)C(C)(C)O)C(F)(F)F)nn3; CC(C)(c1cc(nc(c1F)c2ccc(cc2)F)[C@@](Cn3c c(nn3)c4cc5cccnc5c(c4)OC)(C(F)(F)F)O)O; CC(C)(c1cc(nc(c1F)c2ccc(cc2)F)C(Cn3cc(nn 3)c4cc5cccnc5c(c4)OC)(C(F)(F)F)O)O; OC(C n1cc(nn1)c1cc2cccnc2c(OC)c1)(c1cc(c(F)c( n1)c1ccc(F)cc1)C(C)(C)O)C(F)(F)F; COc1cc (cc2cccnc12)c3cn(C[C@](O)(c4cc(c(F)c(n4) c5ccc(F)cc5)C(C)(C)O)C(F)(F)F)nn3 |
(2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol; JNJ-2729 |
| 13432 |  A1AX0 |
2 | C8 H8 F N O | InChI=1S/C8H8FNO/c1-5-2-3 -6(9)4-7(5)8(10)11/h2-4H, 1H3,(H2,10,11); VPAFHFHYJHZKSR-UHFFFAOYSA-N |
Cc1ccc(F)cc1C(N)=O; Cc1ccc(cc1C(=O)N)F | 5-fluoro-2-methylbenzamide |
| 13433 |  A1AX1 |
1 | C13 H17 N O2 | InChI=1S/C13H17NO2/c1-13( 2,3)10-6-4-9(5-7-10)11(15 )8-12(14)16/h4-7H,8H2,1-3 H3,(H2,14,16); FQSRTGNIILJASA-UHFFFAOYSA-N |
CC(C)(C)c1ccc(cc1)C(=O)CC(N)=O; CC(C)(C) c1ccc(cc1)C(=O)CC(=O)N |
3-(4-tert-butylphenyl)-3-oxopropanamide |
| 13434 |  A1AX2 |
1 | C10 H9 N O | InChI=1S/C10H9NO/c1-3-9-5 -4-6-10(7-9)11-8(2)12/h1, 4-7H,2H3,(H,11,12); KPCKMWGCLHYFCN-UHFFFAOYSA-N |
CC(=O)Nc1cccc(c1)C#C; O=C(C)Nc1cc(ccc1)C #C |
N-(3-ethynylphenyl)acetamide |
| 13435 |  A1AX3 |
1 | C9 H11 N O | InChI=1S/C9H11NO/c1-6-4-3 -5-8(7(6)2)9(10)11/h3-5H, 1-2H3,(H2,10,11); IZAYISYTIWLBNB-UHFFFAOYSA-N |
Cc1cccc(C(N)=O)c1C; Cc1cccc(c1C)C(=O)N; O=C(N)c1cccc(C)c1C |
2,3-dimethylbenzamide |
| 13436 |  A1AX4 |
1 | C11 H13 N3 | InChI=1S/C11H13N3/c12-9-1 0-4-5-13-11(8-10)14-6-2-1 -3-7-14/h4-5,8H,1-3,6-7H2; RCMZEWFYJLACAL-UHFFFAOYSA-N |
c1cnc(cc1C#N)N2CCCCC2; N#Cc1ccnc(c1)N2CC CCC2; N#Cc1cc(ncc1)N1CCCCC1 |
2-(piperidin-1-yl)pyridine-4-carbonitrile |
| 13437 |  A1AX5 CHEMBL1650270 |
1 | C9 H7 F N2 | InChI=1S/C9H7FN2/c10-8-2- 1-3-9(6-8)12-5-4-11-7-12/ h1-7H; SQJDRLQZCRNMQU-UHFFFAOYSA-N |
c1cc(cc(c1)F)n2ccnc2; Fc1cccc(c1)n2ccnc2 ; Fc1cccc(c1)n1ccnc1 |
(1P)-1-(3-fluorophenyl)-1H-imidazole |
| 13438 |  A1AX6 |
1 | C10 H10 Br N O | InChI=1S/C10H10BrNO/c1-10 (2)7-5-6(11)3-4-8(7)12-9( 10)13/h3-5H,1-2H3,(H,12,1 3); YCHSJOIHTKPUCQ-UHFFFAOYSA-N |
CC1(c2cc(ccc2NC1=O)Br)C; CC1(C)C(=O)Nc2c cc(Br)cc12; Brc1cc2c(cc1)NC(=O)C2(C)C |
5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one |
| 13439 |  A1AX7 |
1 | C7 H6 N4 | InChI=1S/C7H6N4/c1-2-9-7( 5-8-1)6-3-10-11-4-6/h1-5H ,(H,10,11); RJLTUYDPHVYZIR-UHFFFAOYSA-N |
c1cnc(cn1)c2c[nH]nc2; c1cnc(cn1)c1c[NH]n c1; [nH]1cc(cn1)c2cnccn2 |
(2P)-2-(1H-pyrazol-4-yl)pyrazine |
| 13440 |  A1AX8 CHEMBL3187466 |
2 | C8 H10 N2 O | InChI=1S/C8H10N2O/c1-5-2- 3-6(8(10)11)4-7(5)9/h2-4H ,9H2,1H3,(H2,10,11); VYBKAZXQKUFAHG-UHFFFAOYSA-N |
Cc1ccc(cc1N)C(N)=O; Cc1ccc(cc1N)C(=O)N | 3-amino-4-methylbenzamide |
| 13441 |  A1AX9 |
1 | C10 H7 N3 | InChI=1S/C10H7N3/c11-8-9- 3-1-4-10(7-9)13-6-2-5-12- 13/h1-7H; KLZKYUMVLIQOFX-UHFFFAOYSA-N |
N#Cc1cccc(c1)n2cccn2; N#Cc1cccc(c1)n1ccc n1; c1cc(cc(c1)n2cccn2)C#N |
(3M)-3-(1H-pyrazol-1-yl)benzonitrile |
| 13442 |  A1AXA |
2 | C12 H16 O3 | InChI=1S/C12H16O3/c13-9-1 0-1-3-11(4-2-10)15-12-5-7 -14-8-6-12/h1-4,12-13H,5- 9H2; VFZJVDCLRTTYDL-UHFFFAOYSA-N |
OCc1ccc(OC2CCOCC2)cc1; OCc1ccc(cc1)OC1CC OCC1; c1cc(ccc1CO)OC2CCOCC2 |
{4-[(oxan-4-yl)oxy]phenyl}methanol |
| 13443 |  A1AXB |
1 | C8 H9 Cl N2 O S | InChI=1S/C8H9ClN2OS/c1-12 -7-3-2-5(9)4-6(7)11-8(10) 13/h2-4H,1H3,(H3,10,11,13 ); SEMNHAXMORNHNR-UHFFFAOYSA-N |
COc1ccc(cc1NC(=S)N)Cl; COc1ccc(Cl)cc1NC( N)=S |
N-(5-chloro-2-methoxyphenyl)thiourea |
| 13444 |  A1AXC |
1 | C11 H13 N O2 | InChI=1S/C11H13NO2/c13-11 (10-4-2-1-3-5-10)12-6-8-1 4-9-7-12/h1-5H,6-9H2; FLCWYEUDIOQXEB-UHFFFAOYSA-N |
O=C(N1CCOCC1)c2ccccc2; c1ccc(cc1)C(=O)N2 CCOCC2; O=C(c1ccccc1)N1CCOCC1 |
(morpholin-4-yl)(phenyl)methanone |
| 13445 |  A1AXD |
1 | C9 H11 N O | InChI=1S/C9H11NO/c1-6-3-4 -8(9(10)11)5-7(6)2/h3-5H, 1-2H3,(H2,10,11); INGCXEIJXKQPJH-UHFFFAOYSA-N |
Cc1ccc(cc1C)C(=O)N; Cc1ccc(cc1C)C(N)=O | 3,4-dimethylbenzamide |
| 13446 |  A1AXE |
1 | C10 H9 N O2 | InChI=1S/C10H9NO2/c1-11-5 -4-7-2-3-8(10(12)13)6-9(7 )11/h2-6H,1H3,(H,12,13); DJQOGNYSBOIJKE-UHFFFAOYSA-N |
Cn1ccc2ccc(cc12)C(O)=O; Cn1ccc2c1cc(cc2) C(=O)O; O=C(O)c1ccc2ccn(C)c2c1 |
1-methyl-1H-indole-6-carboxylic acid |
| 13447 |  A1AXF |
1 | C10 H12 Cl F2 N3 | InChI=1S/C10H12ClF2N3/c11 -8-6-15-9(5-7(8)10(12)13) 16-3-1-14-2-4-16/h5-6,10, 14H,1-4H2; YUJNUNUYEORSDZ-UHFFFAOYSA-N |
c1c(c(cnc1N2CCNCC2)Cl)C(F)F; FC(F)c1cc(n cc1Cl)N1CCNCC1; FC(F)c1cc(ncc1Cl)N2CCNCC 2 |
1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine |
| 13448 |  A1AXG |
1 | C10 H8 F N O | InChI=1S/C10H8FNO/c1-6-5- 9(13)7-3-2-4-8(11)10(7)12 -6/h2-5H,1H3,(H,12,13); LLUXFHIYAWGJGO-UHFFFAOYSA-N |
Cc1cc(O)c2cccc(F)c2n1; Cc1cc(c2cccc(c2n1 )F)O; Fc1cccc2c(O)cc(C)nc12 |
8-fluoro-2-methylquinolin-4-ol |
| 13449 |  A1AXH |
1 | C9 H16 N2 S | InChI=1S/C9H16N2S/c1-10-9 (12)11-8-5-6-2-3-7(8)4-6/ h6-8H,2-5H2,1H3,(H2,10,11 ,12); RCPRDNHLNDSTGX-UHFFFAOYSA-N |
CNC(=S)NC1CC2CCC1C2; CNC(=S)N[CH]1C[CH]2 CC[CH]1C2; CNC(=S)N[C@@H]1C[C@@H]2CC[C@H ]1C2 |
N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-methylthiourea |
| 13450 |  A1AXI |
4 | C18 H33 N3 O5 | InChI=1S/C18H33N3O5/c19-1 0-5-3-1-2-4-6-11-20-18(26 )16(13-8-7-9-13)21-17(25) 14(22)12-15(23)24/h13-14, 16,22H,1-12,19H2,(H,20,26 )(H,21,25)(H,23,24)/t14-, 16-/m0/s1; DGPBSMLADVAZDL-HOCLYGCPSA-N |
C1CC(C1)C(C(=O)NCCCCCCCCN)NC(=O)C(CC(=O) O)O; O=C(NC(C(=O)NCCCCCCCCN)C1CCC1)C(O)C C(=O)O; NCCCCCCCCNC(=O)[CH](NC(=O)[CH](O )CC(O)=O)C1CCC1; C1CC(C1)[C@@H](C(=O)NCC CCCCCCN)NC(=O)[C@H](CC(=O)O)O; NCCCCCCCC NC(=O)[C@@H](NC(=O)[C@@H](O)CC(O)=O)C1CC C1 |
(3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid |
| 13451 |  A1AXJ |
1 | C13 H20 N2 O | InChI=1S/C13H20N2O/c1-2-1 4-7-9-15(10-8-14)13-6-4-3 -5-12(13)11-16/h3-6,16H,2 ,7-11H2,1H3; KRYOTUHYCVJRAS-UHFFFAOYSA-N |
CCN1CCN(CC1)c1ccccc1CO; CCN1CCN(CC1)c2cc ccc2CO |
[2-(4-ethylpiperazin-1-yl)phenyl]methanol |
| 13452 |  A1AXK |
1 | C10 H16 N2 O S | InChI=1S/C10H16N2OS/c13-4 -3-11-10(14)12-9-6-7-1-2- 8(9)5-7/h1-2,7-9,13H,3-6H 2,(H2,11,12,14)/t7-,8+,9- /m1/s1; TZACMRYOUIUTFX-HRDYMLBCSA-N |
OCCNC(=S)N[C@H]1C[C@H]2C[C@@H]1C=C2; OCC NC(=S)NC1CC2C=CC1C2; OCCNC(=S)N[CH]1C[CH ]2C[CH]1C=C2; C1C2CC(C1C=C2)NC(=S)NCCO; C1[C@@H]2C[C@@H]([C@H]1C=C2)NC(=S)NCCO |
N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-(2-hydroxyethyl)thiourea |
| 13453 |  A1AXL CHEMBL4208586 |
1 | C11 H12 N2 O | InChI=1S/C11H12N2O/c1-9-1 0(8-14)7-12-13(9)11-5-3-2 -4-6-11/h2-7,14H,8H2,1H3; JTNWKZVHKLAHTN-UHFFFAOYSA-N |
Cc1c(cnn1c2ccccc2)CO; Cc1c(cnn1c1ccccc1) CO; Cc1n(ncc1CO)c2ccccc2 |
(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol |
| 13454 |  A1AXM |
1 | C10 H7 N3 | InChI=1S/C10H7N3/c11-7-9- 3-1-2-4-10(9)13-6-5-12-8- 13/h1-6,8H; MNKBJOSIVSQUBI-UHFFFAOYSA-N |
N#Cc1ccccc1n1ccnc1; N#Cc1ccccc1n2ccnc2; c1ccc(c(c1)C#N)n2ccnc2 |
(2M)-2-(1H-imidazol-1-yl)benzonitrile |
| 13455 |  A1AXN |
1 | C10 H7 N3 | InChI=1S/C10H7N3/c11-7-9- 2-1-3-10(6-9)13-5-4-12-8- 13/h1-6,8H; WTSYEEOMLMUPSN-UHFFFAOYSA-N |
c1cc(cc(c1)n2ccnc2)C#N; N#Cc1cccc(c1)n1c cnc1; N#Cc1cccc(c1)n2ccnc2 |
(3M)-3-(1H-imidazol-1-yl)benzonitrile |
| 13456 |  A1AXO |
1 | C10 H8 N O2 | InChI=1S/C10H7NO2/c11-10( 12)8-5-1-3-7-4-2-6-13-9(7 )8/h1-6H,(H-,11,12)/p+1; WLJDGPRXZCEFJM-UHFFFAOYSA-O |
NC(=O)c1cccc2ccc[o+]c12; c1cc2ccc[o+]c2c (c1)C(=O)N |
8-carbamoyl-1-benzopyran-1-ium |
| 13457 |  A1AXP |
1 | C10 H10 N2 O2 | InChI=1S/C10H10N2O2/c1-7- 11-10(12-14-7)9-4-2-8(6-1 3)3-5-9/h2-5,13H,6H2,1H3; UHBVGEHXKLYGON-UHFFFAOYSA-N |
Cc1nc(no1)c2ccc(cc2)CO; Cc1onc(n1)c2ccc( CO)cc2; OCc1ccc(cc1)c1nc(C)on1 |
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol |
| 13458 |  A1AXQ |
1 | C9 H7 Br N2 O | InChI=1S/C9H7BrN2O/c1-6-1 1-12-9(13-6)7-3-2-4-8(10) 5-7/h2-5H,1H3; KFORTEWAPHTQIB-UHFFFAOYSA-N |
Cc1nnc(o1)c1cc(Br)ccc1; Cc1nnc(o1)c2cccc (c2)Br; Cc1oc(nn1)c2cccc(Br)c2 |
2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole |
| 13459 |  A1AXR |
1 | C12 H12 N2 O2 | InChI=1S/C12H12N2O2/c1-9- 2-4-10(5-3-9)11-6-7-14(13 -11)8-12(15)16/h2-7H,8H2, 1H3,(H,15,16); JVTYKOFIZWQPAR-UHFFFAOYSA-N |
Cc1ccc(cc1)c2ccn(CC(O)=O)n2; Cc1ccc(cc1) c2ccn(n2)CC(=O)O; OC(=O)Cn1ccc(n1)c1ccc( C)cc1 |
[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid |
| 13460 |  A1AXS |
1 | C13 H15 N O S | InChI=1S/C13H15NOS/c1-14( 13(15)12-3-2-6-16-12)11-8 -9-4-5-10(11)7-9/h2-6,9-1 1H,7-8H2,1H3/t9-,10-,11+/ m0/s1; VKFNIERQIFCMNR-GARJFASQSA-N |
CN(C1CC2CC1C=C2)C(=O)c3cccs3; CN([C@@H]1 C[C@H]2C[C@@H]1C=C2)C(=O)c3cccs3; CN([C@ @H]1C[C@H]2C[C@@H]1C=C2)C(=O)c3sccc3; CN ([CH]1C[CH]2C[CH]1C=C2)C(=O)c3sccc3; CN( C(=O)c1cccs1)C1CC2C=CC1C2 |
N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N-methylthiophene-2-carboxamide |
| 13461 |  A1AXT |
0 | C8 H8 N2 O | InChI=1S/C8H8N2O/c1-11-8- 7-6(2-4-9-7)3-5-10-8/h2-5 ,9H,1H3; RHEGHTSBMVYYAM-UHFFFAOYSA-N |
COc1nccc2cc[NH]c12; COc1c2c(cc[nH]2)ccn1 ; COc1nccc2cc[nH]c12 |
7-methoxy-1H-pyrrolo[2,3-c]pyridine |
| 13462 |  A1AXU |
1 | C7 H5 Br N4 | InChI=1S/C7H5BrN4/c8-6-4- 9-7(10-5-6)12-3-1-2-11-12 /h1-5H; XQBZYQWGCLJVAF-UHFFFAOYSA-N |
c1cnn(c1)c2ncc(cn2)Br; Brc1cnc(nc1)n2ccc n2; Brc1cnc(nc1)n1cccn1 |
5-bromo-2-(1H-pyrazol-1-yl)pyrimidine |
| 13463 |  A1AXV CHEMBL1088657 |
1 | C8 H10 N2 S | InChI=1S/C8H10N2S/c1-6-3- 2-4-7(5-6)10-8(9)11/h2-5H ,1H3,(H3,9,10,11); JODPVHLKQIOIIW-UHFFFAOYSA-N |
Cc1cccc(c1)NC(=S)N; Cc1cccc(NC(N)=S)c1; S=C(N)Nc1cc(C)ccc1 |
N-(3-methylphenyl)thiourea |
| 13464 |  A1AXW |
1 | C9 H7 F N2 | InChI=1S/C9H7FN2/c10-9-3- 1-7(2-4-9)8-5-11-12-6-8/h 1-6H,(H,11,12); ODQIVMKWVSKSKF-UHFFFAOYSA-N |
Fc1ccc(cc1)c2c[nH]nc2; c1cc(ccc1c2c[nH]n c2)F; Fc1ccc(cc1)c1c[NH]nc1 |
4-(4-fluorophenyl)-1H-pyrazole |
| 13465 |  A1AXX |
1 | C8 H5 Cl N2 O | InChI=1S/C8H5ClN2O/c9-8-2 -1-6(3-11-8)7-4-10-5-12-7 /h1-5H; VLCZGHUOVFKECA-UHFFFAOYSA-N |
Clc1ccc(cn1)c2ocnc2; Clc1ncc(cc1)c1cnco1 ; c1cc(ncc1c2cnco2)Cl |
(5P)-2-chloro-5-(1,3-oxazol-5-yl)pyridine |
| 13466 |  A1AXY |
1 | C15 H21 N3 S | InChI=1S/C15H21N3S/c19-15 (17-8-6-13-3-1-2-7-16-13) 18-14-10-11-4-5-12(14)9-1 1/h1-3,7,11-12,14H,4-6,8- 10H2,(H2,17,18,19)/t11-,1 2?,14?/m1/s1; OUSKFHAFKTWQAS-LKSINWNRSA-N |
c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@@H]3CC[C@H ]2C3; S=C(NCCc1ccccn1)NC1CC2CCC1C2; S=C( NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3; S=C(N CCc1ccccn1)N[C@@H]2C[C@@H]3CC[C@H]2C3; c 1ccnc(c1)CCNC(=S)NC2CC3CCC2C3 |
N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea |
| 13467 |  A1AXZ |
2 | C11 H12 N2 O S | InChI=1S/C11H12N2OS/c14-1 0-8-12-11(15)13(10)7-6-9- 4-2-1-3-5-9/h1-5H,6-8H2,( H,12,15); CZWMOPMDVYDARG-UHFFFAOYSA-N |
O=C1CNC(=S)N1CCc1ccccc1; c1ccc(cc1)CCN2C (=O)CNC2=S; O=C1CNC(=S)N1CCc2ccccc2 |
3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one |
| 13468 |  A1AY0 |
1 | C9 H14 N2 O S | InChI=1S/C9H14N2OS/c1-9(2 ,3)6-4-5(10)7(13-6)8(11)1 2/h4H,10H2,1-3H3,(H2,11,1 2); MKHZJBZWKNDDCN-UHFFFAOYSA-N |
Nc1cc(sc1C(=O)N)C(C)(C)C; CC(C)(C)c1sc(C (N)=O)c(N)c1; CC(C)(C)c1cc(c(s1)C(=O)N)N |
3-amino-5-tert-butylthiophene-2-carboxamide |
| 13469 |  A1AY1 |
1 | C13 H22 N2 O | InChI=1S/C13H22N2O/c1-3-4 -7-14-13(16)15(2)12-9-10- 5-6-11(12)8-10/h5-6,10-12 H,3-4,7-9H2,1-2H3,(H,14,1 6)/t10-,11?,12?/m1/s1; FXSHPYPGPUDCLF-VOMCLLRMSA-N |
CCCCNC(=O)N(C)[C@@H]1C[C@H]2C[C@@H]1C=C2 ; CCCCNC(=O)N(C)C1CC2CC1C=C2; CN(C(=O)NC CCC)C1CC2C=CC1C2; CCCCNC(=O)N(C)[CH]1C[C H]2C[CH]1C=C2 |
N-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-butyl-N-methylurea |
| 13470 |  A1AY2 |
3 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c1-10 (2)8-6(9(13)12-10)4-5-7(1 1-8)14-3/h4-5H,1-3H3,(H,1 2,13); PZWRYLXDGPTZTO-UHFFFAOYSA-N |
CC1(c2c(ccc(n2)OC)C(=O)N1)C; COc1ccc2C(= O)NC(C)(C)c2n1; O=C1NC(C)(C)c2nc(ccc12)O C |
2-methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| 13471 |  A1AY3 |
3 | C6 H4 Br N3 | InChI=1S/C6H4BrN3/c7-6-4- 1-2-8-3-5(4)9-10-6/h1-3H, (H,9,10); ANQCOJNSEVIFFL-UHFFFAOYSA-N |
c1cncc2c1c(n[nH]2)Br; Brc1n[nH]c2cnccc12 ; Brc1n[NH]c2cnccc21 |
3-bromo-1H-pyrazolo[3,4-c]pyridine |
| 13472 |  A1AY4 |
2 | C8 H8 N2 O4 S | InChI=1S/C8H8N2O4S/c1-10- 6-3-2-5(15(9,12)13)4-7(6) 14-8(10)11/h2-4H,1H3,(H2, 9,12,13); WVYDXZCZMWDPOV-UHFFFAOYSA-N |
CN1C(=O)Oc2cc(ccc12)[S](N)(=O)=O; CN1c2c cc(cc2OC1=O)S(=O)(=O)N; NS(=O)(=O)c1ccc2 c(c1)OC(=O)N2C |
3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| 13473 |  A1AY5 |
4 | C9 H11 N O2 S | InChI=1S/C9H11NO2S/c11-9( 8-2-1-5-12-8)10-3-6-13-7- 4-10/h1-2,5H,3-4,6-7H2; NLZGZUVTOHQCQF-UHFFFAOYSA-N |
c1cc(oc1)C(=O)N2CCSCC2; O=C(N1CCSCC1)c2o ccc2; O=C(c1ccco1)N1CCSCC1 |
(furan-2-yl)(thiomorpholin-4-yl)methanone |
| 13474 |  A1AY6 |
2 | C12 H11 N O2 | InChI=1S/C12H11NO2/c14-9- 10-4-3-5-11(8-10)15-12-6- 1-2-7-13-12/h1-8,14H,9H2; BXCKKTGCZQDZBY-UHFFFAOYSA-N |
OCc1cc(ccc1)Oc1ccccn1; OCc1cccc(Oc2ccccn 2)c1; c1ccnc(c1)Oc2cccc(c2)CO |
{3-[(pyridin-2-yl)oxy]phenyl}methanol |
| 13475 |  A1AY7 |
1 | C11 H11 N O2 | InChI=1S/C11H11NO2/c1-8-1 0(7-13)11(14-12-8)9-5-3-2 -4-6-9/h2-6,13H,7H2,1H3; KVWBXAICROMJFG-UHFFFAOYSA-N |
OCc1c(onc1C)c1ccccc1; Cc1c(c(on1)c2ccccc 2)CO; Cc1noc(c1CO)c2ccccc2 |
(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol |
| 13476 |  A1AY8 CHEMBL5439383 |
12 | C31 H34 N6 O3 | InChI=1S/C31H34N6O3/c1-35 -12-14-36(15-13-35)26-9-1 0-32-28(18-26)31(40)37-11 -3-5-24(20-37)29(38)34-25 -6-2-4-21(16-25)22-7-8-23 -19-33-30(39)27(23)17-22/ h2,4,6-10,16-18,24H,3,5,1 1-15,19-20H2,1H3,(H,33,39 )(H,34,38)/t24-/m0/s1; OYWGFOXQBJYTIR-DEOSSOPVSA-N |
CN1CCN(CC1)c2ccnc(c2)C(=O)N3CCCC(C3)C(=O )Nc4cccc(c4)c5ccc6c(c5)C(=O)NC6; CN1CCN( CC1)c2ccnc(c2)C(=O)N3CCC[CH](C3)C(=O)Nc4 cccc(c4)c5ccc6CNC(=O)c6c5; CN1CCN(CC1)c2 ccnc(c2)C(=O)N3CCC[C@@H](C3)C(=O)Nc4cccc (c4)c5ccc6c(c5)C(=O)NC6; CN1CCN(CC1)c2cc nc(c2)C(=O)N3CCC[C@@H](C3)C(=O)Nc4cccc(c 4)c5ccc6CNC(=O)c6c5; CN1CCN(CC1)c1cc(ncc 1)C(=O)N1CCCC(C1)C(=O)Nc1cc(ccc1)c1ccc2C NC(=O)c2c1 |
(3S)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]-N-[(3M)-3-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)phenyl]piperidine-3-carboxamide |
| 13477 |  A1AY9 |
0 | C26 H22 N6 S | InChI=1S/C26H22N6S/c1-32- 21-11-10-19(15-2-6-17(7-3 -15)24(27)28)14-20(21)31- 26(32)23-13-12-22(33-23)1 6-4-8-18(9-5-16)25(29)30/ h2-14H,1H3,(H3,27,28)(H3, 29,30); VXKYAQDFRKKEOR-UHFFFAOYSA-N |
Cn1c2ccc(cc2nc1c3sc(cc3)c4ccc(cc4)C(N)=N )c5ccc(cc5)C(N)=N; N=C(N)c1ccc(cc1)c1cc2 nc(n(C)c2cc1)c1ccc(s1)c1ccc(cc1)C(=N)N; [H]/N=C(\c1ccc(cc1)c2ccc3c(c2)nc(n3C)c4c cc(s4)c5ccc(cc5)/C(=N\[H])/N)/N; Cn1c2cc c(cc2nc1c3ccc(s3)c4ccc(cc4)C(=N)N)c5ccc( cc5)C(=N)N |
4-{5-[5-(4-carbamimidoylphenyl)-1-methyl-1H-1,3-benzimidazol-2-yl]thiophen-2-yl}benzene-1-carboximidamide |
| 13478 |  A1AYA |
2 | C12 H18 N2 O | InChI=1S/C12H18N2O/c1-13- 6-8-14(9-7-13)12-5-3-2-4- 11(12)10-15/h2-5,15H,6-10 H2,1H3; TWPYBKBPHCMUIS-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccccc2CO; CN1CCN(CC1)c1cccc c1CO |
[2-(4-methylpiperazin-1-yl)phenyl]methanol |
| 13479 |  A1AYB |
1 | C13 H14 N2 O | InChI=1S/C13H14N2O/c1-14- 10-11-5-7-12(8-6-11)16-13 -4-2-3-9-15-13/h2-9,14H,1 0H2,1H3; AFHNQZMRTDPSDR-UHFFFAOYSA-N |
CNCc1ccc(Oc2ccccn2)cc1; CNCc1ccc(cc1)Oc1 ccccn1; CNCc1ccc(cc1)Oc2ccccn2 |
N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine |
| 13480 |  A1AYC CHEMBL1573062 |
2 | C13 H19 N O S | InChI=1S/C13H19NOS/c1-13( 2,3)11-7-6-10(16-11)12(15 )14-8-4-5-9-14/h6-7H,4-5, 8-9H2,1-3H3; NMXUYRLEYFWAEC-UHFFFAOYSA-N |
O=C(c1ccc(s1)C(C)(C)C)N1CCCC1; CC(C)(C)c 1ccc(s1)C(=O)N2CCCC2; CC(C)(C)c1sc(cc1)C (=O)N2CCCC2 |
(5-tert-butylthiophen-2-yl)(pyrrolidin-1-yl)methanone |
| 13481 |  A1AYD |
2 | C8 H8 F2 N2 S | InChI=1S/C8H8F2N2S/c1-11- 8(13)12-7-3-2-5(9)4-6(7)1 0/h2-4H,1H3,(H2,11,12,13); KZSZGGVUSFIQIN-UHFFFAOYSA-N |
S=C(Nc1ccc(F)cc1F)NC; CNC(=S)Nc1ccc(F)cc 1F; CNC(=S)Nc1ccc(cc1F)F |
N-(2,4-difluorophenyl)-N'-methylthiourea |
| 13482 |  A1AYE CHEMBL1543848 |
1 | C12 H11 Cl N2 O | InChI=1S/C12H11ClN2O/c1-8 -6-10(3-4-11(8)13)16-12-5 -2-9(14)7-15-12/h2-7H,14H 2,1H3; WLGFEUQNIQLGGZ-UHFFFAOYSA-N |
Cc1cc(Oc2ccc(N)cn2)ccc1Cl; Cc1cc(ccc1Cl) Oc2ccc(cn2)N; Cc1cc(ccc1Cl)Oc1ccc(N)cn1 |
6-(4-chloro-3-methylphenoxy)pyridin-3-amine |
| 13483 |  A1AYF CHEMBL3186573 |
1 | C8 H9 N O2 | InChI=1S/C8H9NO2/c10-7-5- 3-1-2-4-6(5)8(11)9-7/h1-2 ,5-6H,3-4H2,(H,9,10,11)/t 5-,6+; CIFFBTOJCKSRJY-OLQVQODUSA-N |
O=C1NC(=O)C2CC=CCC12; O=C1NC(=O)[C@@H]2C C=CC[C@H]12; C1C=CC[C@H]2[C@@H]1C(=O)NC2 =O; C1C=CCC2C1C(=O)NC2=O; O=C1NC(=O)[CH] 2CC=CC[CH]12 |
(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| 13484 |  A1AYG CHEMBL5220217 |
2 | C13 H14 N2 O | InChI=1S/C13H14N2O/c1-9-4 -3-5-12(10(9)2)16-13-7-6- 11(14)8-15-13/h3-8H,14H2, 1-2H3; XINLHLGITRDWJY-UHFFFAOYSA-N |
Cc1cccc(c1C)Oc2ccc(cn2)N; Cc1cccc(Oc2ccc (N)cn2)c1C |
6-(2,3-dimethylphenoxy)pyridin-3-amine |
| 13485 |  A1AYH |
1 | C14 H14 Cl N O2 S | InChI=1S/C14H14ClNO2S/c15 -12-5-3-11(4-6-12)10-19-9 -7-16-14(17)13-2-1-8-18-1 3/h1-6,8H,7,9-10H2,(H,16, 17); ZLSVDRZOHUGDIR-UHFFFAOYSA-N |
c1cc(oc1)C(=O)NCCSCc2ccc(cc2)Cl; Clc1ccc (CSCCNC(=O)c2occc2)cc1; O=C(NCCSCc1ccc(C l)cc1)c1ccco1 |
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)furan-2-carboxamide |
| 13486 |  A1AYI |
1 | C13 H12 O2 | InChI=1S/C13H12O2/c14-10- 11-6-4-5-9-13(11)15-12-7- 2-1-3-8-12/h1-9,14H,10H2; VMZBMTWFHYYOIN-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccccc2CO; OCc1ccccc1Oc2cccc c2; OCc1ccccc1Oc1ccccc1 |
(2-phenoxyphenyl)methanol |
| 13487 |  A1AYJ |
1 | C10 H20 N2 O S | InChI=1S/C10H20N2OS/c13-8 -7-11-10(14)12-9-5-3-1-2- 4-6-9/h9,13H,1-8H2,(H2,11 ,12,14); XZVAQQCCBIIANR-UHFFFAOYSA-N |
C1CCCC(CC1)NC(=S)NCCO; OCCNC(=S)NC1CCCCC C1 |
N-cycloheptyl-N'-(2-hydroxyethyl)thiourea |
| 13488 |  A1AYK |
1 | C11 H15 N O2 | InChI=1S/C11H15NO2/c12-10 -3-1-2-4-11(10)14-9-5-7-1 3-8-6-9/h1-4,9H,5-8,12H2; CLGPZXHLRKSEDD-UHFFFAOYSA-N |
Nc1ccccc1OC2CCOCC2; c1ccc(c(c1)N)OC2CCOC C2; Nc1ccccc1OC1CCOCC1 |
2-[(oxan-4-yl)oxy]aniline |
| 13489 |  A1AYL |
1 | C11 H11 F2 N O | InChI=1S/C11H11F2NO/c12-9 -5-4-8(6-10(9)13)14-11(15 )7-2-1-3-7/h4-7H,1-3H2,(H ,14,15); XASPAHIFZGPPJW-UHFFFAOYSA-N |
c1cc(c(cc1NC(=O)C2CCC2)F)F; Fc1ccc(NC(=O )C2CCC2)cc1F; O=C(Nc1cc(F)c(F)cc1)C1CCC1 |
N-(3,4-difluorophenyl)cyclobutanecarboxamide |
| 13490 |  A1AYM |
1 | C7 H6 Cl F N2 S | InChI=1S/C7H6ClFN2S/c8-5- 3-4(11-7(10)12)1-2-6(5)9/ h1-3H,(H3,10,11,12); OVJVZVPEMXLKOE-UHFFFAOYSA-N |
c1cc(c(cc1NC(=S)N)Cl)F; Fc1ccc(NC(N)=S)c c1Cl; NC(=S)Nc1ccc(F)c(Cl)c1 |
N-(3-chloro-4-fluorophenyl)thiourea |
| 13491 |  A1AYN CHEMBL455720 |
2 | C4 H3 Cl2 N O2 S2 | InChI=1S/C4H3Cl2NO2S2/c5- 3-1-2(4(6)10-3)11(7,8)9/h 1H,(H2,7,8,9); BUQKISCVZMIFEF-UHFFFAOYSA-N |
c1c(c(sc1Cl)Cl)S(=O)(=O)N; N[S](=O)(=O)c 1cc(Cl)sc1Cl; Clc1cc(c(Cl)s1)S(=O)(N)=O |
2,5-dichlorothiophene-3-sulfonamide |
| 13492 |  A1AYO CHEMBL4452239 |
2 | C9 H7 Cl2 N3 | InChI=1S/C9H7Cl2N3/c10-8- 9(11)14(5-13-8)7-3-1-6(12 )2-4-7/h1-5H,12H2; BPNGSEJDRLWEPM-UHFFFAOYSA-N |
Nc1ccc(cc1)n2cnc(Cl)c2Cl; Nc1ccc(cc1)n1c nc(Cl)c1Cl; c1cc(ccc1N)n2cnc(c2Cl)Cl |
4-(4,5-dichloro-1H-imidazol-1-yl)aniline |
| 13493 |  A1AYP CHEMBL366390 |
1 | C12 H11 F N2 O | InChI=1S/C12H11FN2O/c13-1 0-5-3-9(4-6-10)8-15-12(16 )11-2-1-7-14-11/h1-7,14H, 8H2,(H,15,16); ISDNXPQCMNXNMI-UHFFFAOYSA-N |
Fc1ccc(CNC(=O)c2[nH]ccc2)cc1; O=C(NCc1cc c(F)cc1)c1ccc[NH]1; c1cc([nH]c1)C(=O)NCc 2ccc(cc2)F |
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide |
| 13494 |  A1AYQ CHEMBL1559732 |
1 | C8 H8 Cl N3 | InChI=1S/C8H8ClN3/c1-2-7- 10-11-8-5-3-4-6(9)12(7)8/ h3-5H,2H2,1H3; RGZGODCNISGVLM-UHFFFAOYSA-N |
CCc1nnc2cccc(Cl)n12; Clc1cccc2nnc(CC)n12 ; CCc1nnc2n1c(ccc2)Cl |
(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine |
| 13495 |  A1AYR |
1 | C7 H5 Br N2 S | InChI=1S/C7H5BrN2S/c8-5-2 -4-11-7(5)6-1-3-9-10-6/h1 -4H,(H,9,10); GHQQEFVAZIMSDU-UHFFFAOYSA-N |
c1c[nH]nc1c2c(ccs2)Br; Brc1ccsc1c1n[NH]c c1; Brc1ccsc1c2cc[nH]n2 |
3-(3-bromothiophen-2-yl)-1H-pyrazole |
| 13496 |  A1AYS |
2 | C11 H11 F N2 O | InChI=1S/C11H11FN2O/c1-7- 6-13-14-11(7)8-3-4-10(15- 2)9(12)5-8/h3-6H,1-2H3,(H ,13,14); KPUCKYWPTNWIMH-UHFFFAOYSA-N |
COc1ccc(cc1F)c2n[nH]cc2C; COc1ccc(cc1F)c 1n[NH]cc1C; Cc1c[nH]nc1c2ccc(c(c2)F)OC |
(3M)-3-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole |
| 13497 |  A1AYT CHEMBL1892443 |
1 | C9 H9 N3 | InChI=1S/C9H9N3/c1-6-7(2) 12-9-8(11-6)4-3-5-10-9/h3 -5H,1-2H3; TYSBLMVKFMRPQF-UHFFFAOYSA-N |
Cc1c(nc2c(n1)cccn2)C; Cc1nc2cccnc2nc1C | 2,3-dimethylpyrido[2,3-b]pyrazine |
| 13498 |  A1AYU |
1 | C10 H7 F3 N2 O | InChI=1S/C10H7F3N2O/c11-1 0(12,13)8-6-9(16)15(14-8) 7-4-2-1-3-5-7/h1-6,14H; PSQCMVQGPMFFCX-UHFFFAOYSA-N |
c1ccc(cc1)N2C(=O)C=C(N2)C(F)(F)F; FC(F)( F)C1=CC(=O)N(N1)c1ccccc1; FC(F)(F)C1=CC( =O)N(N1)c2ccccc2 |
2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| 13499 |  A1AYV CHEMBL4554926 |
1 | C7 H6 N2 O4 S | InChI=1S/C7H6N2O4S/c8-14( 11,12)4-1-2-5-6(3-4)13-7( 10)9-5/h1-3H,(H,9,10)(H2, 8,11,12); FKHFSNZMBFSMHO-UHFFFAOYSA-N |
c1cc2c(cc1S(=O)(=O)N)OC(=O)N2; N[S](=O)( =O)c1ccc2NC(=O)Oc2c1; NS(=O)(=O)c1ccc2NC (=O)Oc2c1 |
2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| 13500 |  A1AYW CHEMBL1988902 |
1 | C11 H12 N2 O | InChI=1S/C11H12N2O/c12-9- 10-1-3-11(4-2-10)13-5-7-1 4-8-6-13/h1-4H,5-8H2; ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
N#Cc1ccc(cc1)N2CCOCC2; N#Cc1ccc(cc1)N1CC OCC1; c1cc(ccc1C#N)N2CCOCC2 |
4-(morpholin-4-yl)benzonitrile |
| 13501 |  A1AYX |
1 | C9 H7 Cl N2 O | InChI=1S/C9H7ClN2O/c10-7- 2-1-3-8(6-7)12-9(13)4-5-1 1/h1-3,6H,4H2,(H,12,13); JHGKLDZJAHYJIP-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)NC(=O)CC#N; Clc1cc(NC(=O)C C#N)ccc1; Clc1cccc(NC(=O)CC#N)c1 |
N-(3-chlorophenyl)-2-cyanoacetamide |
| 13502 |  A1AYY |
2 | C10 H14 N2 O | InChI=1S/C10H14N2O/c13-8- 9-4-3-5-10(11-9)12-6-1-2- 7-12/h3-5,13H,1-2,6-8H2; INCLVFBQYYTJLC-UHFFFAOYSA-N |
c1cc(nc(c1)N2CCCC2)CO; OCc1cccc(n1)N1CCC C1; OCc1cccc(n1)N2CCCC2 |
[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol |
| 13503 |  A1AYZ |
1 | C7 H6 F3 N O2 | InChI=1S/C7H6F3NO2/c1-3-2 -4(6(11)12)5(13-3)7(8,9)1 0/h2H,1H3,(H2,11,12); NXCKENOPYUWPSU-UHFFFAOYSA-N |
Cc1cc(c(o1)C(F)(F)F)C(=O)N; Cc1oc(c(c1)C (N)=O)C(F)(F)F; O=C(N)c1cc(C)oc1C(F)(F)F |
5-methyl-2-(trifluoromethyl)furan-3-carboxamide |
| 13504 |  A1AZ0 CHEMBL4438309 |
28 | C42 H51 N13 O7 | InChI=1S/C42H51N13O7/c1-6 -54-31(19-25(3)49-54)39(5 8)47-41-45-29-21-27(37(43 )56)23-33(60-5)35(29)52(4 1)12-8-9-13-53-36-30(46-4 2(53)48-40(59)32-20-26(4) 50-55(32)7-2)22-28(38(44) 57)24-34(36)62-16-10-11-5 1-14-17-61-18-15-51/h8-9, 19-24H,6-7,10-18H2,1-5H3, (H2,43,56)(H2,44,57)(H,45 ,47,58)(H,46,48,59)/b9-8+; JGLMVXWAHNTPRF-CMDGGOBGSA-N |
CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CC=CC n4c5c(cc(cc5OCCCN6CCOCC6)C(=O)N)nc4NC(=O )c7cc(nn7CC)C)OC)C(=O)N; CCn1nc(C)cc1C(= O)Nc2nc3cc(cc(OC)c3n2C\C=C\Cn4c(NC(=O)c5 cc(C)nn5CC)nc6cc(cc(OCCCN7CCOCC7)c46)C(N )=O)C(N)=O; CCn1nc(C)cc1C(=O)Nc2nc3cc(cc (OC)c3n2CC=CCn4c(NC(=O)c5cc(C)nn5CC)nc6c c(cc(OCCCN7CCOCC7)c46)C(N)=O)C(N)=O; Cc1 cc(n(CC)n1)C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C \Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN3 CCOCC3)c21)C(N)=O)C(N)=O; CCn1c(cc(n1)C) C(=O)Nc2nc3cc(cc(c3n2C/C=C/Cn4c5c(cc(cc5 OCCCN6CCOCC6)C(=O)N)nc4NC(=O)c7cc(nn7CC) C)OC)C(=O)N |
1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzimidazole-5-carboxamide |
| 13505 |  A1AZ1 CHEMBL5590694 |
3 | C29 H32 N6 O | InChI=1S/C29H32N6O/c1-20- 8-9-22(35-14-12-33(2)13-1 5-35)16-24(20)28(36)32-29 (10-11-29)25-17-27(21-18- 30-34(3)19-21)31-26-7-5-4 -6-23(25)26/h4-9,16-19H,1 0-15H2,1-3H3,(H,32,36); MMVYUHFDLZLNDJ-UHFFFAOYSA-N |
Cc1ccc(cc1C(=O)NC2(CC2)c3cc(nc4c3cccc4)c 5cnn(c5)C)N6CCN(CC6)C; CN1CCN(CC1)c2ccc( C)c(c2)C(=O)NC3(CC3)c4cc(nc5ccccc45)c6cn n(C)c6; Cn1cc(cn1)c1nc2ccccc2c(c1)C1(NC( =O)c2cc(ccc2C)N2CCN(C)CC2)CC1 |
2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide |
| 13506 |  A1AZ2 |
0 | C7 H11 N3 O2 | InChI=1S/C7H11N3O2/c1-10- 4-9-3-5(10)2-6(8)7(11)12/ h3-4,6H,2,8H2,1H3,(H,11,1 2)/t6-/m1/s1; JDHILDINMRGULE-ZCFIWIBFSA-N |
Cn1cncc1C[C@@H](N)C(O)=O; NC(Cc1cncn1C)C (=O)O; Cn1cncc1C[C@H](C(=O)O)N; Cn1cncc1 CC(C(=O)O)N; Cn1cncc1C[CH](N)C(O)=O |
3-methyl-D-histidine |
| 13507 |  A1AZ4 CHEMBL5187755 DB21733 |
4 | C22 H27 Cl F N5 O3 | InChI=1S/C22H27ClFN5O3/c1 -11(2)29-16-8-12(7-14(24) 19(16)27-20(29)22(3,4)31) 18-13(23)9-25-21(28-18)26 -15-5-6-32-10-17(15)30/h7 -9,11,15,17,30-31H,5-6,10 H2,1-4H3,(H,25,26,28)/t15 -,17-/m1/s1; QYJLBHRAPDJOSO-NVXWUHKLSA-N |
CC(C)n1c2cc(cc(c2nc1C(C)(C)O)F)c3c(cnc(n 3)NC4CCOCC4O)Cl; CC(C)n1c2cc(cc(F)c2nc1C (C)(C)O)c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl; CC(C)n1c2cc(cc(F)c2nc1C(C)(C)O)c3nc(N[C H]4CCOC[CH]4O)ncc3Cl; CC(C)n1c2cc(cc(c2n c1C(C)(C)O)F)c3c(cnc(n3)N[C@@H]4CCOC[C@H ]4O)Cl; OC1COCCC1Nc1nc(c2cc(F)c3nc(n(C(C )C)c3c2)C(C)(C)O)c(Cl)cn1 |
Atirmociclib |
| 13508 |  A1AZ5 |
1 | C27 H45 N7 O | InChI=1S/C27H45N7O/c1-6-1 4-25(35)30-22-15-16-24-23 (21-22)26(28-17-10-7-8-12 -19-33(2)3)32-27(31-24)29 -18-11-9-13-20-34(4)5/h6, 14-16,21H,7-13,17-20H2,1- 5H3,(H,30,35)(H2,28,29,31 ,32)/b14-6+; XCVDIAHHCKQHFZ-MKMNVTDBSA-N |
CN(C)CCCCCCNc1nc(nc2ccc(cc21)NC(=O)\C=C\ C)NCCCCCN(C)C; CC=CC(=O)Nc1ccc2c(c1)c(nc (n2)NCCCCCN(C)C)NCCCCCCN(C)C; C/C=C/C(=O )Nc1ccc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c 2c1; CC=CC(=O)Nc1ccc2nc(NCCCCCN(C)C)nc(N CCCCCCN(C)C)c2c1; C/C=C/C(=O)Nc1ccc2c(c1 )c(nc(n2)NCCCCCN(C)C)NCCCCCCN(C)C |
(2E)-N-(4-{[6-(dimethylamino)hexyl]amino}-2-{[5-(dimethylamino)pentyl]amino}quinazolin-6-yl)but-2-enamide |
| 13509 |  A1AZ6 |
1 | C29 H50 N8 O | InChI=1S/C29H50N8O/c1-35( 2)20-12-8-7-10-18-30-28-2 5-23-24(32-27(38)15-14-22 -37(5)6)16-17-26(25)33-29 (34-28)31-19-11-9-13-21-3 6(3)4/h14-17,23H,7-13,18- 22H2,1-6H3,(H,32,38)(H2,3 0,31,33,34)/b15-14+; YCBIMOYJAYMCOJ-CCEZHUSRSA-N |
CN(C)CCCCCCNc1c2cc(ccc2nc(n1)NCCCCCN(C)C )NC(=O)C=CCN(C)C; CN(C)CCCCCCNc1c2cc(ccc 2nc(n1)NCCCCCN(C)C)NC(=O)/C=C/CN(C)C; CN (C)CCCCCCNc1nc(NCCCCCN(C)C)nc2ccc(NC(=O) C=CCN(C)C)cc12; CN(C)CCCCCCNc1nc(NCCCCCN (C)C)nc2ccc(NC(=O)\C=C\CN(C)C)cc12; CN(C )C\C=C\C(=O)Nc1cc2c(cc1)nc(NCCCCCN(C)C)n c2NCCCCCCN(C)C |
(2E)-4-(dimethylamino)-N-(4-{[6-(dimethylamino)hexyl]amino}-2-{[5-(dimethylamino)pentyl]amino}quinazolin-6-yl)but-2-enamide |
| 13510 |  A1AZ7 CHEMBL450895 DB00646 |
2 | C47 H75 N O17 | InChI=1S/C47H75NO17/c1-27 -17-15-13-11-9-7-5-6-8-10 -12-14-16-18-34(64-46-44( 58)41(48)43(57)30(4)63-46 )24-38-40(45(59)60)37(54) 26-47(61,65-38)25-36(53)3 5(52)20-19-31(49)21-32(50 )22-33(51)23-39(55)62-29( 3)28(2)42(27)56/h5-6,8,10 -18,27-38,40-44,46,49-54, 56-58,61H,7,9,19-26,48H2, 1-4H3,(H,59,60)/b6-5+,10- 8+,13-11+,14-12+,17-15+,1 8-16+/t27-,28-,29-,30+,31 +,32+,33+,34-,35+,36+,37- ,38-,40+,41-,42+,43+,44-, 46-,47+/m0/s1; VQOXZBDYSJBXMA-NQTDYLQESA-N |
C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@@H ](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([ C@@H](CC[C@H](C[C@H](C[C@H](CC(=O)O[C@H] ([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O) O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O )N)O; CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC (O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O )O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N) O; C[CH]1OC(=O)C[CH](O)C[CH](O)C[CH](O)C C[CH](O)[CH](O)C[C]2(O)C[CH](O)[CH]([CH] (C[CH](O[CH]3O[CH](C)[CH](O)[CH](N)[CH]3 O)C=CC=CC=CC=CCCC=CC=C[CH](C)[CH](O)[CH] 1C)O2)C(O)=O; C[C@@H]1OC(=O)C[C@H](O)C[C @H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2 (O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3 O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\ C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O) [C@H]1C)O2)C(O)=O; O=C(O)C1C(O)CC2(O)CC( O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O )C(C)C=CC=CCCC=CC=CC=CC=CC(OC3OC(C)C(O)C (N)C3O)CC1O2 |
Nystatin; (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid |
| 13511 |  A1AZ8 |
1 | C20 H22 F3 N5 O4 | InChI=1S/C20H22F3N5O4/c1- 3-28-17-12(4-6-27(19(17)2 9)13-5-7-31-10-15(13)30-2 )16(26-28)11-8-14(18(24)2 5-9-11)32-20(21,22)23/h4, 6,8-9,13,15H,3,5,7,10H2,1 -2H3,(H2,24,25)/t13-,15+/ m1/s1; NPKZOAIFPSVVPH-HIFRSBDPSA-N |
CCn1nc(c2cnc(N)c(OC(F)(F)F)c2)c3C=CN([CH ]4CCOC[CH]4OC)C(=O)c13; CCn1nc(c2cnc(N)c (OC(F)(F)F)c2)c3C=CN([C@@H]4CCOC[C@@H]4O C)C(=O)c13; COC1COCCC1N1C=Cc2c(nn(CC)c2C 1=O)c1cc(OC(F)(F)F)c(N)nc1; CCn1c2c(c(n1 )c3cc(c(nc3)N)OC(F)(F)F)C=CN(C2=O)[C@@H] 4CCOC[C@@H]4OC; CCn1c2c(c(n1)c3cc(c(nc3) N)OC(F)(F)F)C=CN(C2=O)C4CCOCC4OC |
3-{(3M)-3-[6-amino-5-(trifluoromethoxy)pyridin-3-yl]-1-ethyl-7-oxo-1,7-dihydro-6H-pyrazolo[3,4-c]pyridin-6-yl}-1,5-anhydro-3,4-dideoxy-2-O-methyl-D-erythro-pentitol |
| 13512 |  A1AZ9 |
5 | C15 H16 F3 N3 | InChI=1S/C15H16F3N3/c1-9- 4-13(21-14(19)5-9)11-6-10 (8-20-3-2-16)7-12(17)15(1 1)18/h4-7,20H,2-3,8H2,1H3 ,(H2,19,21); GBQCWLDIOWZEAS-UHFFFAOYSA-N |
Cc1cc(nc(N)c1)c1cc(CNCCF)cc(F)c1F; Cc1cc (nc(c1)N)c2cc(cc(c2F)F)CNCCF; Cc1cc(N)nc (c1)c2cc(CNCCF)cc(F)c2F |
(6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine |
| 13513 |  A1AZA |
1 | C21 H20 F2 N4 O2 | InChI=1S/C21H20F2N4O2/c22 -16-11-18-20(24-12-16)25- 21(29-18)27-7-5-26(6-8-27 )19(28)10-15-4-3-14(9-17( 15)23)13-1-2-13/h3-4,9,11 -13H,1-2,5-8,10H2; OUHGRNWLKXAVMD-UHFFFAOYSA-N |
c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4nc5c (o4)cc(cn5)F; Fc1cnc2nc(oc2c1)N3CCN(CC3) C(=O)Cc4ccc(cc4F)C5CC5; Fc1cc(ccc1CC(=O) N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1 |
2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one |
| 13514 |  A1AZB |
1 | C18 H16 F N5 O S | InChI=1S/C18H16FN5OS/c1-1 0-15(26-18(22-10)24-17(20 )21)12-3-2-4-14(9-12)23-1 6(25)11-5-7-13(19)8-6-11/ h2-9H,1H3,(H,23,25)(H4,20 ,21,22,24); HULFYSCAJVTAAR-UHFFFAOYSA-N |
[H]/N=C(/N)\Nc1nc(c(s1)c2cccc(c2)NC(=O)c 3ccc(cc3)F)C; Cc1nc(NC(N)=N)sc1c1cccc(NC (=O)c2ccc(F)cc2)c1; Cc1nc(NC(N)=N)sc1c2c ccc(NC(=O)c3ccc(F)cc3)c2; Cc1c(sc(n1)NC( =N)N)c2cccc(c2)NC(=O)c3ccc(cc3)F |
N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide |
| 13515 |  A1AZC CHEMBL5965059 |
2 | C19 H22 F N5 O3 S | InChI=1S/C19H22FN5O3S/c1- 10-8-25(9-11(2)28-10)19-1 6-15(22-12(3)23-19)17(18( 21)24-16)29(26,27)14-7-5- 4-6-13(14)20/h4-7,10-11,2 4H,8-9,21H2,1-3H3/t10-,11 +; FFKYPPBXLPNOOV-PHIMTYICSA-N |
Cc1nc2c(c(n1)N3CC(OC(C3)C)C)[nH]c(c2S(=O )(=O)c4ccccc4F)N; Cc1nc2c(c(n1)N3C[C@H]( O[C@H](C3)C)C)[nH]c(c2S(=O)(=O)c4ccccc4F )N; C[CH]1CN(C[CH](C)O1)c2nc(C)nc3c2[nH] c(N)c3[S](=O)(=O)c4ccccc4F; C[C@@H]1CN(C [C@H](C)O1)c2nc(C)nc3c2[nH]c(N)c3[S](=O) (=O)c4ccccc4F; CC1CN(CC(C)O1)c1nc(C)nc2c 1[NH]c(N)c2S(=O)(=O)c1ccccc1F |
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzene-1-sulfonyl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine |
| 13516 |  A1AZD CHEMBL4452486 |
4 | C29 H32 F N5 O5 S | InChI=1S/C29H32FN5O5S/c1- 29(2,3)40-28(37)32-11-12- 38-13-14-39-23-7-5-4-6-19 (23)25-26-20(10-15-41-26) 27(35-34-25)33-22-9-8-18( 16-21(22)30)17-24(31)36/h 4-10,15-16H,11-14,17H2,1- 3H3,(H2,31,36)(H,32,37)(H ,33,35); NFCHONNVHGPRMI-UHFFFAOYSA-N |
CC(C)(C)OC(=O)NCCOCCOc1ccccc1c1nnc(Nc2cc c(CC(N)=O)cc2F)c2ccsc12; CC(C)(C)OC(=O)N CCOCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F) c4ccsc24; CC(C)(C)OC(=O)NCCOCCOc1ccccc1c 2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N |
tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate |
| 13517 |  A1AZE CHEMBL5173813 |
3 | C24 H25 Cl2 N5 O S | InChI=1S/C24H25Cl2N5OS/c2 5-19-15-27-24(29-22(19)20 -7-8-21(26)33-20)28-17-5- 3-16(4-6-17)23(32)31-13-9 -18(10-14-31)30-11-1-2-12 -30/h3-8,15,18H,1-2,9-14H 2,(H,27,28,29); SZKUPGRFEZHAPU-UHFFFAOYSA-N |
c1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4ncc(c (n4)c5ccc(s5)Cl)Cl; Clc1ccc(s1)c1nc(Nc2c cc(cc2)C(=O)N2CCC(CC2)N2CCCC2)ncc1Cl; Cl c1sc(cc1)c2nc(Nc3ccc(cc3)C(=O)N4CCC(CC4) N5CCCC5)ncc2Cl |
(4-{[5-chloro-4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone |
| 13518 |  A1AZG |
2 | C22 H29 N7 O8 S | InChI=1S/C22H29N7O8S/c1-1 0(2)16-15-19(24)25-9-26-2 0(15)29(27-16)22-18(32)17 (31)14(37-22)8-36-38(34,3 5)28-21(33)13(23)7-11-3-5 -12(30)6-4-11/h3-6,9-10,1 3-14,17-18,22,30-32H,7-8, 23H2,1-2H3,(H,28,33)(H2,2 4,25,26)/t13-,14+,17+,18+ ,22+/m0/s1; ZOGBAKBFHJWHJQ-DVQOCAJJSA-N |
CC(C)c1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H] ([C@H](O3)COS(=O)(=O)NC(=O)[C@H](Cc4ccc( cc4)O)N)O)O)N; CC(C)c1nn([CH]2O[CH](CO[S ](=O)(=O)NC(=O)[CH](N)Cc3ccc(O)cc3)[CH]( O)[CH]2O)c4ncnc(N)c14; CC(C)c1c2c(ncnc2n (n1)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(Cc4ccc (cc4)O)N)O)O)N; CC(C)c1nn([C@@H]2O[C@H]( CO[S](=O)(=O)NC(=O)[C@@H](N)Cc3ccc(O)cc3 )[C@@H](O)[C@H]2O)c4ncnc(N)c14; Oc1ccc(c c1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(c3c(N )ncnc32)C(C)C)C(O)C1O |
{(2R,3S,4R,5R)-5-[4-amino-3-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate |
| 13519 |  A1AZH |
2 | C3 H8 O5 S | InChI=1S/C3H8O5S/c4-1-3(5 )2-9(6,7)8/h3-5H,1-2H2,(H ,6,7,8)/t3-/m1/s1; YPFUJZAAZJXMIP-GSVOUGTGSA-N |
C(C(CS(=O)(=O)O)O)O; OCC(O)CS(=O)(=O)O; OC[C@@H](O)C[S](O)(=O)=O; C([C@H](CS(=O) (=O)O)O)O; OC[CH](O)C[S](O)(=O)=O |
(2R)-2,3-dihydroxypropane-1-sulfonic acid |
| 13520 |  A1AZI |
3 | C41 H51 N3 O11 | InChI=1S/C41H51N3O11/c1-2 5-17-19-43-31(20-25)37(47 )42-26(2)39(49)54-24-41(3 ,4)36(46)38(48)44-18-8-7- 12-30(44)40(50)55-32(28-1 0-9-11-29(22-28)53-23-35( 43)45)15-13-27-14-16-33(5 1-5)34(21-27)52-6/h9-11,1 4,16,21-22,26,30-32H,1,7- 8,12-13,15,17-20,23-24H2, 2-6H3,(H,42,47)/t26-,30-, 31+,32+/m0/s1; UQCBSRDSMCVZQE-HOXVFRLBSA-N |
CC1C(=O)OCC(C(=O)C(=O)N2CCCCC2C(=O)OC(c3 cccc(c3)OCC(=O)N4CCC(=C)CC4C(=O)N1)CCc5c cc(c(c5)OC)OC)(C)C; COc1ccc(CC[C@H]2OC(= O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)COC(=O)[ C@H](C)NC(=O)[C@H]4CC(=C)CCN4C(=O)COc5cc cc2c5)cc1OC; COc1ccc(CC[CH]2OC(=O)[CH]3C CCCN3C(=O)C(=O)C(C)(C)COC(=O)[CH](C)NC(= O)[CH]4CC(=C)CCN4C(=O)COc5cccc2c5)cc1OC; COc1ccc(cc1OC)CCC1OC(=O)C2CCCCN2C(=O)C( =O)C(C)(C)COC(=O)C(C)NC(=O)C2CC(=C)CCN2C (=O)COc2cc1ccc2; C[C@H]1C(=O)OCC(C(=O)C( =O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OC C(=O)N4CCC(=C)C[C@@H]4C(=O)N1)CCc5ccc(c( c5)OC)OC)(C)C |
(5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone |
| 13521 |  A1AZJ CHEMBL75035 |
2 | C30 H35 N O6 | InChI=1S/C30H35NO6/c1-34- 26-12-6-23(7-13-26)30(24- 8-14-27(35-2)15-9-24,25-1 0-16-28(36-3)17-11-25)37- 20-19-31-18-4-5-22(21-31) 29(32)33/h6-17,22H,4-5,18 -21H2,1-3H3,(H,32,33)/t22 -/m0/s1; VDLDUZLDZBVOAS-QFIPXVFZSA-N |
COc1ccc(cc1)C(OCCN2CCC[C@@H](C2)C(O)=O)( c3ccc(OC)cc3)c4ccc(OC)cc4; COc1ccc(cc1)C (c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCCC(C4 )C(=O)O; COc1ccc(cc1)C(OCCN2CCC[CH](C2)C (O)=O)(c3ccc(OC)cc3)c4ccc(OC)cc4; COc1cc c(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4 CCC[C@@H](C4)C(=O)O; COc1ccc(cc1)C(OCCN1 CCCC(C1)C(=O)O)(c1ccc(OC)cc1)c1ccc(OC)cc 1 |
(3S)-1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}piperidine-3-carboxylic acid |
| 13522 |  A1AZK |
4 | C5 H11 N3 O | InChI=1S/C5H11N3O/c6-5(7) 8-3-1-2-4-9/h4H,1-3H2,(H4 ,6,7,8); VCOFTLCIPLEZKE-UHFFFAOYSA-N |
N=C(N)NCCCC=O; [H]/N=C(/N)\NCCCC=O; NC(= N)NCCCC=O; C(CC=O)CNC(=N)N |
N-(4-oxobutyl)guanidine |
| 13523 |  A1AZL |
0 | C21 H24 N6 O | InChI=1S/C21H24N6O/c22-9- 13-27-14-12-25-20(27)16-1 -3-17(4-2-16)21(28)26-18- 7-5-15(6-8-18)19-23-10-11 -24-19/h1-8H,9-14,22H2,(H ,23,24)(H,26,28); MIXOGBPRHWAMGZ-UHFFFAOYSA-N |
NCCN1CCN=C1c1ccc(cc1)C(=O)Nc1ccc(cc1)C1= NCCN1; c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc( cc3)C4=NCCN4; NCCN1CCN=C1c2ccc(cc2)C(=O) Nc3ccc(cc3)C4=NCCN4 |
4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide |
| 13524 |  A1AZM CHEMBL3344303 |
0 | C15 H16 N6 O2 | InChI=1S/C15H16N6O2/c16-1 4(17)20-10-3-1-9(2-4-10)1 3(22)23-12-7-5-11(6-8-12) 21-15(18)19/h1-8H,(H4,16, 17,20)(H4,18,19,21); JXJBQAMLLCEHTI-UHFFFAOYSA-N |
O=C(Oc1ccc(cc1)NC(=N)N)c1ccc(NC(=N)N)cc1 ; c1cc(ccc1C(=O)Oc2ccc(cc2)NC(=N)N)NC(=N )N; [H]/N=C(\N)/Nc1ccc(cc1)C(=O)Oc2ccc(c c2)N/C(=N\[H])/N; NC(=N)Nc1ccc(OC(=O)c2c cc(NC(N)=N)cc2)cc1 |
4-carbamimidamidophenyl 4-carbamimidamidobenzoate |
| 13525 |  A1AZP |
1 | C16 H15 F3 N4 | InChI=1S/C16H15F3N4/c1-9( 2)10-3-4-13-14(22-8-23(13 )7-10)11-5-12(16(17,18)19 )15(20)21-6-11/h3-9H,1-2H 3,(H2,20,21); MQVIMOBDRXHSME-UHFFFAOYSA-N |
CC(C)c1ccc2n(cnc2c3cnc(N)c(c3)C(F)(F)F)c 1; CC(C)c1ccc2c(ncn2c1)c3cc(c(nc3)N)C(F) (F)F; FC(F)(F)c1cc(cnc1N)c1ncn2cc(ccc12) C(C)C |
(5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine |
| 13526 |  A1AZQ CHEMBL1564653 |
0 | C10 H13 N O2 | InChI=1S/C10H13NO2/c12-10 (13)8-11-7-6-9-4-2-1-3-5- 9/h1-5,11H,6-8H2,(H,12,13 ); UHNMIDKSDRGICN-UHFFFAOYSA-N |
OC(=O)CNCCc1ccccc1; c1ccc(cc1)CCNCC(=O)O ; O=C(O)CNCCc1ccccc1 |
N-(2-phenylethyl)glycine |
| 13527 |  A1AZR |
1 | C37 H40 N4 O11 S2 | InChI=1S/C37H40N4O11S2/c1 -3-4-5-24-6-12-28(13-7-24 )53(48,49)40-32-16-10-26( 22-30(32)36(44)45)38-34(4 2)18-19-35(43)39-27-11-17 -33(31(23-27)37(46)47)41- 54(50,51)29-14-8-25(9-15- 29)20-21-52-2/h6-17,22-23 ,40-41H,3-5,18-21H2,1-2H3 ,(H,38,42)(H,39,43)(H,44, 45)(H,46,47); ZUDKFHHJONZZCP-UHFFFAOYSA-N |
CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O) NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(= O)c4ccc(cc4)CCOC; CCCCc1ccc(cc1)[S](=O)( =O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(N[S](=O)(= O)c4ccc(CCOC)cc4)c(c3)C(O)=O)cc2C(O)=O; O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O )c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O) O)c1ccc(CCOC)cc1 |
2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid |
| 13528 |  A1AZS CHEMBL5596338 |
1 | C38 H42 N4 O10 S2 | InChI=1S/C38H42N4O10S2/c1 -3-5-7-25-9-15-29(16-10-2 5)53(49,50)41-33-19-13-27 (23-31(33)37(45)46)39-35( 43)21-22-36(44)40-28-14-2 0-34(32(24-28)38(47)48)42 -54(51,52)30-17-11-26(12- 18-30)8-6-4-2/h9-20,23-24 ,41-42H,3-8,21-22H2,1-2H3 ,(H,39,43)(H,40,44)(H,45, 46)(H,47,48); MZGNMODGUUOXBI-UHFFFAOYSA-N |
CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CC C(=O)Nc3ccc(N[S](=O)(=O)c4ccc(CCCC)cc4)c (c3)C(O)=O)cc2C(O)=O; CCCCc1ccc(cc1)S(=O )(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3cc c(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCCC; O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O )c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O) O)c1ccc(CCCC)cc1 |
3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid] |
| 13529 |  A1AZU CHEMBL233611 |
1 | C25 H35 N3 O2 | InChI=1S/C25H35N3O2/c1-4- 27(5-2)19-20-10-12-22(13- 11-20)25(29)28(23-14-16-2 6-18-23)17-15-21-8-6-7-9- 24(21)30-3/h6-13,23,26H,4 -5,14-19H2,1-3H3/t23-/m1/ s1; XKPJTOHUPQWSOJ-HSZRJFAPSA-N |
CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[C H]3CCNC3; CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1c cccc1OC)C1CCNC1; CCN(CC)Cc1ccc(cc1)C(=O) N(CCc2ccccc2OC)C3CCNC3; CCN(CC)Cc1ccc(cc 1)C(=O)N(CCc2ccccc2OC)[C@@H]3CCNC3 |
4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide |
| 13530 |  A1AZV |
4 | C47 H60 N6 O7 | InChI=1S/C47H60N6O7/c1-8- 52-40-18-17-32-25-36(40)3 7(43(52)35-15-11-19-48-41 (35)28(2)59-7)26-47(4,5)2 7-60-46(58)38-16-12-20-53 (50-38)45(57)39(23-30-21- 33(32)24-34(55)22-30)49-4 4(56)42(51(6)29(3)54)31-1 3-9-10-14-31/h11,15,17-19 ,21-22,24-25,28,31,38-39, 42,50,55H,8-10,12-14,16,2 0,23,26-27H2,1-7H3,(H,49, 56)/t28-,38+,39?,42?/m1/s 1; MKRNLNKKKZHBNP-FNQLVOKESA-N |
CCn1c2ccc-3cc2c(c1c4cccnc4[C@H](C)OC)CC( COC(=O)[C@@H]5CCCN(N5)C(=O)[C@H](Cc6cc3c c(c6)O)NC(=O)[C@H](C7CCCC7)N(C)C(=O)C)(C )C; CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc (O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN (N2)C1=O)c(n3CC)c1cccnc1C(C)OC; CCn1c2cc c3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC[N@@](N4 )C(=O)[C@H](Cc5cc(O)cc3c5)NC(=O)[C@H](C6 CCCC6)N(C)C(C)=O)c1c7cccnc7[C@H](C)OC; C Cn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N] (N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH](C 6CCCC6)N(C)C(C)=O)c1c7cccnc7[CH](C)OC; C Cn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(= O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C (C7CCCC7)N(C)C(=O)C)(C)C |
(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name) |
| 13531 |  A1AZW |
4 | C60 H82 F3 N11 O6 S | InChI=1S/C60H82F3N11O6S/c 1-36(2)52(71-19-16-59(32- 71)17-20-72(33-59)55(76)4 6(64-6)25-38-10-11-38)54( 75)67-47-28-50-66-48(31-8 1-50)39-12-15-49-42(26-39 )44(29-58(4,5)35-80-57(78 )45-9-8-18-74(68-45)56(47 )77)53(73(49)34-60(61,62) 63)43-27-41(30-65-51(43)3 7(3)79-7)70-23-21-69(22-2 4-70)40-13-14-40/h12,15,2 6-27,30-31,36-38,40,45-47 ,52,64,68H,8-11,13-14,16- 25,28-29,32-35H2,1-7H3,(H ,67,75)/t37-,45+,46?,47?, 52?,59+/m1/s1; BGNGNDMOUYSLOR-CGMNUUEASA-N |
CNC(CC1CC1)C(=O)N1CCC2(CCN(C2)C(C(C)C)C( =O)NC2Cc3nc(cs3)c3ccc4n(CC(F)(F)F)c(c5cc (cnc5C(C)OC)N5CCN(CC5)C5CC5)c(CC(C)(C)CO C(=O)C5CCCN(N5)C2=O)c4c3)C1; C[C@@H](c1c (cc(cn1)N2CCN(CC2)C3CC3)c4c5c6cc(ccc6n4C C(F)(F)F)-c7csc(n7)C[C@@H](C(=O)N8CCC[C@ H](N8)C(=O)OCC(C5)(C)C)NC(=O)[C@H](C(C)C )N9CC[C@@]1(C9)CCN(C1)C(=O)[C@@H](CC1CC1 )NC)OC; CN[CH](CC1CC1)C(=O)N2CC[C]3(CCN( C3)[CH](C(C)C)C(=O)N[CH]4Cc5scc(n5)c6ccc 7n(CC(F)(F)F)c(c(CC(C)(C)COC(=O)[CH]8CCC [N](N8)C4=O)c7c6)c9cc(cnc9[CH](C)OC)N%10 CCN(CC%10)C%11CC%11)C2; CN[C@H](CC1CC1)C (=O)N2CC[C@]3(CCN(C3)[C@@H](C(C)C)C(=O)N [C@H]4Cc5scc(n5)c6ccc7n(CC(F)(F)F)c(c(CC (C)(C)COC(=O)[C@@H]8CCC[N@](N8)C4=O)c7c6 )c9cc(cnc9[C@H](C)OC)N%10CCN(CC%10)C%11C C%11)C2; CC(C)C(C(=O)NC1Cc2nc(cs2)-c3ccc 4c(c3)c(c(n4CC(F)(F)F)c5cc(cnc5C(C)OC)N6 CCN(CC6)C7CC7)CC(COC(=O)C8CCCN(C1=O)N8)( C)C)N9CCC1(C9)CCN(C1)C(=O)C(CC1CC1)NC |
(2R)-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) |
| 13532 |  A1AZX |
4 | C51 H68 N8 O8 | InChI=1S/C51H68N8O8/c1-9- 58-42-19-18-34-26-38(42)3 9(46(58)37-16-12-20-53-44 (37)31(3)66-8)27-51(4,5)2 9-67-50(65)40-17-13-21-59 (55-40)49(64)41(24-32-22- 35(34)25-36(60)23-32)54-4 7(62)45(33-14-10-11-15-33 )57(7)43(61)28-56(6)48(63 )30(2)52/h12,16,18-20,22- 23,25-26,30-31,33,40-41,4 5,55,60H,9-11,13-15,17,21 ,24,27-29,52H2,1-8H3,(H,5 4,62)/t30?,31-,40+,41?,45 ?/m1/s1; SCSPCGZHAKKNOM-UOVDXZPVSA-N |
CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC( =O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O) C(C7CCCC7)N(C)C(=O)CN(C)C(=O)C(C)N)(C)C; CC(N)C(=O)N(C)CC(=O)N(C)C(C1CCCC1)C(=O) NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)CO C(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)O C; CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CC C[N](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[C H](C6CCCC6)N(C)C(=O)CN(C)C(=O)[CH](C)N)c 1c7cccnc7[CH](C)OC; CCn1c2ccc-3cc2c(c1c4 cccnc4[C@H](C)OC)CC(COC(=O)[C@@H]5CCCN(N 5)C(=O)[C@H](Cc6cc3cc(c6)O)NC(=O)[C@H](C 7CCCC7)N(C)C(=O)CN(C)C(=O)[C@@H](C)N)(C) C; CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4 CCC[N@](N4)C(=O)[C@H](Cc5cc(O)cc3c5)NC(= O)[C@H](C6CCCC6)N(C)C(=O)CN(C)C(=O)[C@@H ](C)N)c1c7cccnc7[C@H](C)OC |
(2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name) |
| 13533 |  A1AZY |
4 | C54 H70 N8 O8 | InChI=1S/C54H70N8O8/c1-7- 60-44-17-16-36-28-40(44)4 1(47(60)39-14-10-20-56-45 (39)33(3)69-6)29-53(4,5)3 1-70-51(67)42-15-11-21-62 (58-42)50(66)43(26-34-24- 37(36)27-38(63)25-34)57-4 8(64)46(35-12-8-9-13-35)6 1-23-19-54(52(61)68)18-22 -59(30-54)49(65)32(2)55/h 10,14,16-17,20,24-25,27-2 8,32-33,35,42-43,46,58,63 H,7-9,11-13,15,18-19,21-2 3,26,29-31,55H2,1-6H3,(H, 57,64)/t32?,33?,42?,43?,4 6?,54-/m0/s1; VAPYVLGUTQAHDY-WPKFLYFUSA-N |
CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N ](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH]( C6CCCC6)N7CC[C]8(CCN(C8)C(=O)[CH](C)N)C7 =O)c1c9cccnc9[CH](C)OC; CC(N)C(=O)N1CCC2 (C1)CCN(C2=O)C(C1CCCC1)C(=O)NC1Cc2cc(cc( O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN( N2)C1=O)c(n3CC)c1cccnc1C(C)OC; CCn1c2ccc -3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN (N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C(C7CCCC7 )N8CCC9(C8=O)CCN(C9)C(=O)C(C)N)(C)C; CCn 1c2ccc-3cc2c(c1c4cccnc4[C@H](C)OC)CC(COC (=O)[C@@H]5CCCN(N5)C(=O)[C@H](Cc6cc3cc(c 6)O)NC(=O)[C@H](C7CCCC7)N8CC[C@@]9(C8=O) CCN(C9)C(=O)[C@@H](C)N)(C)C; CCn1c2ccc3c c2c(CC(C)(C)COC(=O)[C@@H]4CCC[N@](N4)C(= O)[C@H](Cc5cc(O)cc3c5)NC(=O)[C@H](C6CCCC 6)N7CC[C@]8(CCN(C8)C(=O)[C@@H](C)N)C7=O) c1c9cccnc9[C@H](C)OC |
(2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name) |
| 13534 |  A1AZZ |
4 | C63 H90 F3 N11 O7 | InChI=1S/C63H90F3N11O7/c1 -40(82-5)54-48(31-45(34-6 8-54)72-25-23-71(24-26-72 )43-14-15-43)56-49-33-61( 2,3)39-84-60(81)50-11-8-2 0-77(70-50)59(80)52(32-46 -35-73(27-28-83-46)44-16- 17-53(47(49)30-44)76(56)3 8-63(64,65)66)69-57(78)55 (42-9-6-7-10-42)74-21-18- 62(36-74)19-22-75(37-62)5 8(79)51(67-4)29-41-12-13- 41/h16-17,30-31,34,40-43, 46,50-52,55,67,70H,6-15,1 8-29,32-33,35-39H2,1-5H3, (H,69,78)/t40-,46?,50+,51 ?,52?,55?,62+/m1/s1; JMAQBEASIHESBM-FNASEHJFSA-N |
C[C@@H](c1c(cc(cn1)N2CCN(CC2)C3CC3)c4c5c 6cc(ccc6n4CC(F)(F)F)[N@]7CCO[C@H](C7)C[C @@H](C(=O)N8CCC[C@H](N8)C(=O)OCC(C5)(C)C )NC(=O)[C@H](C9CCCC9)N1CC[C@@]2(C1)CCN(C 2)C(=O)[C@@H](CC1CC1)NC)OC; CN[CH](CC1CC 1)C(=O)N2CC[C]3(CCN(C3)[CH](C4CCCC4)C(=O )N[CH]5C[CH]6C[N](CCO6)c7ccc8n(CC(F)(F)F )c(c(CC(C)(C)COC(=O)[CH]9CCC[N](N9)C5=O) c8c7)c%10cc(cnc%10[CH](C)OC)N%11CCN(CC%1 1)C%12CC%12)C2; CN[C@H](CC1CC1)C(=O)N2CC [C@]3(CCN(C3)[C@H](C4CCCC4)C(=O)N[C@H]5C [C@@H]6C[N@](CCO6)c7ccc8n(CC(F)(F)F)c(c( CC(C)(C)COC(=O)[C@@H]9CCC[N@@](N9)C5=O)c 8c7)c%10cc(cnc%10[C@@H](C)OC)N%11CCN(CC% 11)C%12CC%12)C2; CC(c1c(cc(cn1)N2CCN(CC2 )C3CC3)c4c5c6cc(ccc6n4CC(F)(F)F)N7CCOC(C 7)CC(C(=O)N8CCCC(N8)C(=O)OCC(C5)(C)C)NC( =O)C(C9CCCC9)N1CCC2(C1)CCN(C2)C(=O)C(CC1 CC1)NC)OC; CNC(CC1CC1)C(=O)N1CCC2(CCN(C2 )C(C2CCCC2)C(=O)NC2CC3CN(CCO3)c3cc4c(CC( C)(C)COC(=O)C5CCCN(N5)C2=O)c(c2cc(cnc2C( C)OC)N2CCN(CC2)C2CC2)n(CC(F)(F)F)c4cc3)C 1 |
(2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) |
| 13535 |  A1B ZINC000584905494 |
4 | C5 H10 B O6 | InChI=1S/C5H10BO6/c1-5-4( 3(7)2-10-5)11-6(8,9)12-5/ h3-4,7-9H,2H2,1H3/q-1/t3- ,4+,5+/m0/s1; GNABZUZRGYHKDZ-VPENINKCSA-N |
[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O ; C[C@]12OC[C@H](O)[C@H]1O[B-](O)(O)O2; C21O[B-](OC1(OCC2O)C)(O)O; C[C]12OC[CH]( O)[CH]1O[B-](O)(O)O2; [B-]1(OC2C(COC2(O1 )C)O)(O)O |
1-deoxy-alpha-L-xylulofuranose-1,2-borate |
| 13536 |  A1B01 |
1 | C14 H15 N3 O2 | InChI=1S/C14H15N3O2/c18-1 4(15-7-5-12-9-19-10-16-12 )17-8-6-11-3-1-2-4-13(11) 17/h1-4,9-10H,5-8H2,(H,15 ,18); CFBYKVAFAXYDRK-UHFFFAOYSA-N |
c1ccc2c(c1)CCN2C(=O)NCCc3cocn3; O=C(NCCc 1cocn1)N2CCc3ccccc23; O=C(NCCc1cocn1)N1C Cc2ccccc21 |
N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-1-carboxamide |
| 13537 |  A1B02 |
1 | C13 H12 N4 O2 | InChI=1S/C13H12N4O2/c1-17 -6-9-3-2-4-11(13(9)16-17) 15-12(18)5-10-7-19-8-14-1 0/h2-4,6-8H,5H2,1H3,(H,15 ,18); YEAWWZXWMQIDNB-UHFFFAOYSA-N |
Cn1cc2cccc(NC(=O)Cc3cocn3)c2n1; O=C(Nc1c ccc2cn(C)nc21)Cc1cocn1; Cn1cc2cccc(c2n1) NC(=O)Cc3cocn3 |
N-(2-methyl-2H-indazol-7-yl)-2-(1,3-oxazol-4-yl)acetamide |
| 13538 |  A1B03 |
1 | C8 H14 N2 O3 S | InChI=1S/C8H14N2O3S/c1-2- 14(12,13)10-5-3-4-7(6-10) 8(9)11/h2,7H,1,3-6H2,(H2, 9,11)/t7-/m0/s1; FSNFOMGLDYESSZ-ZETCQYMHSA-N |
C=CS(=O)(=O)N1CCCC(C1)C(=O)N; NC(=O)[C@H ]1CCCN(C1)[S](=O)(=O)C=C; O=S(=O)(C=C)N1 CCCC(C1)C(N)=O; C=CS(=O)(=O)N1CCC[C@@H]( C1)C(=O)N; NC(=O)[CH]1CCCN(C1)[S](=O)(=O )C=C |
(3S)-1-(ethenesulfonyl)piperidine-3-carboxamide |
| 13539 |  A1B04 |
1 | C12 H12 N2 O2 | InChI=1S/C12H12N2O2/c15-1 2(10-4-2-1-3-5-10)13-7-6- 11-8-16-9-14-11/h1-5,8-9H ,6-7H2,(H,13,15); INXUYTDTOJRNGX-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)NCCc2cocn2; O=C(NCCc1cocn 1)c2ccccc2; O=C(NCCc1cocn1)c1ccccc1 |
N-[2-(1,3-oxazol-4-yl)ethyl]benzamide |
| 13540 |  A1B05 |
1 | C9 H11 N5 O2 | InChI=1S/C9H11N5O2/c1-14- 12-4-8(13-14)9(15)10-3-2- 7-5-16-6-11-7/h4-6H,2-3H2 ,1H3,(H,10,15); PBFVVICHKJKWIA-UHFFFAOYSA-N |
Cn1ncc(n1)C(=O)NCCc1cocn1; Cn1ncc(n1)C(= O)NCCc2cocn2 |
2-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide |
| 13541 |  A1B07 |
1 | C15 H16 Cl N3 O3 | InChI=1S/C15H16ClN3O3/c1- 10-6-11(16)15(19-14(20)9- 21-2)12(7-10)22-8-13-17-4 -3-5-18-13/h3-7H,8-9H2,1- 2H3,(H,19,20); ATXBWRYERKVHTO-UHFFFAOYSA-N |
COCC(=O)Nc1c(OCc2ncccn2)cc(C)cc1Cl; COCC (=O)Nc1c(Cl)cc(C)cc1OCc2ncccn2; Cc1cc(c( c(c1)Cl)NC(=O)COC)OCc2ncccn2 |
N-{2-chloro-4-methyl-6-[(pyrimidin-2-yl)methoxy]phenyl}-2-methoxyacetamide |
| 13542 |  A1B08 |
1 | C16 H22 N4 O3 | InChI=1S/C16H22N4O3/c1-2- 18-15(22)11-5-3-7-13(9-11 )19-16(23)20-8-4-6-12(10- 20)14(17)21/h3,5,7,9,12H, 2,4,6,8,10H2,1H3,(H2,17,2 1)(H,18,22)(H,19,23)/t12- /m0/s1; AHABGCZYHXNKLQ-LBPRGKRZSA-N |
CCNC(=O)c1cccc(c1)NC(=O)N2CCC[C@@H](C2)C (=O)N; CCNC(=O)c1cccc(NC(=O)N2CCC[CH](C2 )C(N)=O)c1; CCNC(=O)c1cccc(c1)NC(=O)N2CC CC(C2)C(=O)N; CCNC(=O)c1cccc(NC(=O)N2CCC [C@@H](C2)C(N)=O)c1; O=C(Nc1cc(ccc1)C(=O )NCC)N1CCCC(C1)C(N)=O |
(3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide |
| 13543 |  A1B09 |
1 | C13 H17 N O3 | InChI=1S/C13H17NO3/c1-17- 12-5-3-2-4-10(12)8-13(16) 14-7-6-11(15)9-14/h2-5,11 ,15H,6-9H2,1H3; MYUHZHXRZFYTPE-UHFFFAOYSA-N |
COc1ccccc1CC(=O)N2CC[C@@H](O)C2; COc1ccc cc1CC(=O)N2CCC(C2)O; COc1ccccc1CC(=O)N2C C[C@H](C2)O; OC1CCN(C1)C(=O)Cc1ccccc1OC; COc1ccccc1CC(=O)N2CC[CH](O)C2 |
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one |
| 13544 |  A1B0A |
1 | C27 H25 Cl F3 N3 O5 | InChI=1S/C27H25ClF3N3O5/c 28-22-13-17(3-6-24(22)39- 27(29,30)31)15-32-8-1-2-1 0-37-11-12-38-25-20-7-9-3 3-16-21(20)19-5-4-18(26(3 5)36)14-23(19)34-25/h3-7, 9,13-14,16,32H,1-2,8,10-1 2,15H2,(H,35,36); ZXBOCEMSOANKPH-UHFFFAOYSA-N |
FC(F)(F)Oc1ccc(cc1Cl)CNCCCCOCCOc1nc2cc(c cc2c2cnccc12)C(=O)O; OC(=O)c1ccc2c(c1)nc (OCCOCCCCNCc3ccc(OC(F)(F)F)c(Cl)c3)c4ccn cc24; c1cc(c(cc1CNCCCCOCCOc2c3ccncc3c4cc c(cc4n2)C(=O)O)Cl)OC(F)(F)F |
5-{2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 13545 |  A1B0B |
1 | C27 H28 Cl N5 O3 | InChI=1S/C27H28ClN5O3/c28 -23-13-18(7-8-21(23)19-5- 2-1-3-6-19)16-29-12-9-26( 34)31-11-4-10-30-24-14-20 (27(35)36)15-25-22(24)17- 32-33-25/h1-3,5-8,13-15,1 7,29-30H,4,9-12,16H2,(H,3 1,34)(H,32,33)(H,35,36); SSCVZBAMEACZLD-UHFFFAOYSA-N |
OC(=O)c1cc(NCCCNC(=O)CCNCc2ccc(c(Cl)c2)c 3ccccc3)c4cn[nH]c4c1; c1ccc(cc1)c2ccc(cc 2Cl)CNCCC(=O)NCCCNc3cc(cc4c3cn[nH]4)C(=O )O; Clc1cc(ccc1c1ccccc1)CNCCC(=O)NCCCNc1 cc(cc2[NH]ncc12)C(=O)O |
4-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}-1H-indazole-6-carboxylic acid |
| 13546 |  A1B0C |
1 | C15 H14 N4 O | InChI=1S/C15H14N4O/c1-2-1 8-15-11-5-6-17-8-12(11)10 -4-3-9(14(16)20)7-13(10)1 9-15/h3-8H,2H2,1H3,(H2,16 ,20)(H,18,19); LMXWXXMIEIPBAO-UHFFFAOYSA-N |
CCNc1c2ccncc2c3ccc(cc3n1)C(=O)N; CCNc1nc 2cc(ccc2c3cnccc13)C(N)=O; NC(=O)c1cc2nc( NCC)c3ccncc3c2cc1 |
5-(ethylamino)benzo[c][2,6]naphthyridine-8-carboxamide |
| 13547 |  A1B0D |
1 | C32 H29 Cl N6 O2 | InChI=1S/C32H29ClN6O2/c33 -28-17-21(7-9-24(28)22-5- 2-1-3-6-22)19-35-16-12-30 (40)37-13-4-14-38-32-26-1 1-15-36-20-27(26)25-10-8- 23(31(34)41)18-29(25)39-3 2/h1-3,5-11,13,15,17-18,2 0,35H,4,12,14,16,19H2,(H2 ,34,41)(H,38,39)/b37-13+; YLLAGTCXVHAWOY-WMJGVATBSA-N |
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)/N=C/CCNc 3c4ccncc4c5ccc(cc5n3)C(=O)N; Clc1cc(ccc1 c1ccccc1)CNCCC(=O)/N=C/CCNc1nc2cc(ccc2c2 cnccc12)C(N)=O; c1ccc(cc1)c2ccc(cc2Cl)CN CCC(=O)N=CCCNc3c4ccncc4c5ccc(cc5n3)C(=O) N; NC(=O)c1ccc2c(c1)nc(NCCC=NC(=O)CCNCc3 ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
5-{[(3E)-3-({(E)-N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}imino)propyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| 13548 |  A1B0E |
1 | C26 H28 Cl N5 O2 | InChI=1S/C26H28ClN5O2/c27 -20-5-3-4-18(14-20)16-29- 9-1-2-12-34-13-11-31-26-2 2-8-10-30-17-23(22)21-7-6 -19(25(28)33)15-24(21)32- 26/h3-8,10,14-15,17,29H,1 -2,9,11-13,16H2,(H2,28,33 )(H,31,32); ZCLCMLMHEMDXAK-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CNCCCCOCCNc2c3ccncc3c4ccc( cc4n2)C(=O)N; NC(=O)c1cc2nc(NCCOCCCCNCc3 cccc(Cl)c3)c3ccncc3c2cc1; NC(=O)c1ccc2c( c1)nc(NCCOCCCCNCc3cccc(Cl)c3)c4ccncc24 |
5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| 13549 |  A1B0F |
1 | C27 H27 F4 N5 O3 | InChI=1S/C27H27F4N5O3/c28 -22-13-17(3-6-24(22)39-27 (29,30)31)15-33-8-1-2-11- 38-12-10-35-26-20-7-9-34- 16-21(20)19-5-4-18(25(32) 37)14-23(19)36-26/h3-7,9, 13-14,16,33H,1-2,8,10-12, 15H2,(H2,32,37)(H,35,36); VNAJSIZEQWWMNK-UHFFFAOYSA-N |
c1cc(c(cc1CNCCCCOCCNc2c3ccncc3c4ccc(cc4n 2)C(=O)N)F)OC(F)(F)F; NC(=O)c1ccc2c(c1)n c(NCCOCCCCNCc3ccc(OC(F)(F)F)c(F)c3)c4ccn cc24; FC(F)(F)Oc1ccc(cc1F)CNCCCCOCCNc1nc 2cc(ccc2c2cnccc12)C(N)=O |
5-({2-[4-({[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide |
| 13550 |  A1B0G |
1 | C29 H32 Cl N5 O2 | InChI=1S/C29H32ClN5O2/c30 -26-15-19(3-7-22(26)20-4- 5-20)17-32-10-1-2-13-37-1 4-12-34-29-24-9-11-33-18- 25(24)23-8-6-21(28(31)36) 16-27(23)35-29/h3,6-9,11, 15-16,18,20,32H,1-2,4-5,1 0,12-14,17H2,(H2,31,36)(H ,34,35); VPCMAPSJWQZILZ-UHFFFAOYSA-N |
NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(C4CC 4)c(Cl)c3)c5ccncc25; c1cc(c(cc1CNCCCCOCC Nc2c3ccncc3c4ccc(cc4n2)C(=O)N)Cl)C5CC5; NC(=O)c1cc2nc(NCCOCCCCNCc3ccc(C4CC4)c(Cl )c3)c3ccncc3c2cc1 |
5-{[2-(4-{[(3-chloro-4-cyclopropylphenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| 13551 |  A1B0H |
1 | C27 H26 Cl F3 N4 O4 | InChI=1S/C27H26ClF3N4O4/c 28-22-13-17(3-6-24(22)39- 27(29,30)31)15-32-8-1-2-1 1-38-12-10-34-25-20-7-9-3 3-16-21(20)19-5-4-18(26(3 6)37)14-23(19)35-25/h3-7, 9,13-14,16,32H,1-2,8,10-1 2,15H2,(H,34,35)(H,36,37); MEGVZXPQKGWUAG-UHFFFAOYSA-N |
OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(OC(F )(F)F)c(Cl)c3)c4ccncc24; FC(F)(F)Oc1ccc( cc1Cl)CNCCCCOCCNc1nc2cc(ccc2c2cnccc12)C( =O)O; c1cc(c(cc1CNCCCCOCCNc2c3ccncc3c4cc c(cc4n2)C(=O)O)Cl)OC(F)(F)F |
5-({2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 13552 |  A1B0I |
1 | C28 H30 F3 N3 O5 | InChI=1S/C28H30F3N3O5/c1- 18-14-19(4-7-25(18)39-28( 29,30)31)16-32-9-2-3-11-3 7-12-13-38-26-22-8-10-33- 17-23(22)21-6-5-20(27(35) 36)15-24(21)34-26/h4-7,10 ,14-15,32H,2-3,8-9,11-13, 16-17H2,1H3,(H,35,36); BZUWWUCGXQJCJE-UHFFFAOYSA-N |
Cc1cc(ccc1OC(F)(F)F)CNCCCCOCCOc2c3c(c4cc c(cc4n2)C(=O)O)CN=CC3; Cc1cc(CNCCCCOCCOc 2nc3cc(ccc3c4CN=CCc24)C(O)=O)ccc1OC(F)(F )F; FC(F)(F)Oc1ccc(cc1C)CNCCCCOCCOc1nc2c c(ccc2c2CN=CCc21)C(=O)O |
5-{2-[4-({[3-methyl-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}-1,4-dihydrobenzo[c][2,6]naphthyridine-8-carboxylic acid |
| 13553 |  A1B0J |
1 | C16 H15 N5 O2 | InChI=1S/C16H15N5O2/c17-1 5(23)10-1-2-11-13-8-18-4- 3-12(13)16(21-14(11)7-10) 20-6-5-19-9-22/h1-4,7-9H, 5-6H2,(H2,17,23)(H,19,22) (H,20,21); IQHZYBCZKRHMLA-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCNC=O; N C(=O)c1ccc2c(c1)nc(NCCNC=O)c3ccncc23; NC (=O)c1cc2nc(NCCNC=O)c3ccncc3c2cc1 |
5-[(2-formamidoethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide |
| 13554 |  A1B0K |
1 | C32 H32 Cl N5 O2 | InChI=1S/C32H32ClN5O2/c33 -29-18-22(8-10-25(29)23-6 -2-1-3-7-23)20-35-13-4-5- 16-40-17-15-37-32-27-12-1 4-36-21-28(27)26-11-9-24( 31(34)39)19-30(26)38-32/h 1-3,6-12,14,18-19,21,35H, 4-5,13,15-17,20H2,(H2,34, 39)(H,37,38); JXVHFVDLYKIXHT-UHFFFAOYSA-N |
NC(=O)c1cc2nc(NCCOCCCCNCc3ccc(c4ccccc4)c (Cl)c3)c3ccncc3c2cc1; c1ccc(cc1)c2ccc(cc 2Cl)CNCCCCOCCNc3c4ccncc4c5ccc(cc5n3)C(=O )N; NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc( c(Cl)c3)c4ccccc4)c5ccncc25 |
5-{[2-(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| 13555 |  A1B0L |
2 | C14 H20 Cl N7 O9 S | InChI=1S/C14H20ClN7O9S/c1 5-14-19-10(17)7-11(20-14) 22(3-18-7)13-9(26)8(25)5( 31-13)2-30-32(28,29)21-12 (27)4(16)1-6(23)24/h3-5,8 -9,12-13,21,25-27H,1-2,16 H2,(H,23,24)(H2,17,19,20); YOQULUZFJUCTJA-UHFFFAOYSA-N |
N[C@@H](CC(O)=O)[C@@H](O)N[S](=O)(=O)OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n c(Cl)nc23; c1nc2c(nc(nc2n1C3C(C(C(O3)COS (=O)(=O)NC(C(CC(=O)O)N)O)O)O)Cl)N; c1nc2 c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C OS(=O)(=O)N[C@@H]([C@H](CC(=O)O)N)O)O)O) Cl)N; O=C(O)CC(N)C(O)NS(=O)(=O)OCC1OC(n2 cnc3c(N)nc(Cl)nc32)C(O)C1O; N[CH](CC(O)= O)[CH](O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O )[CH]1O)n2cnc3c(N)nc(Cl)nc23 |
9-(5-O-{[(1R,2R)-2-amino-3-carboxy-1-hydroxypropyl]sulfamoyl}-beta-D-lyxofuranosyl)-2-chloro-9H-purin-6-amine |
| 13556 |  A1B0N |
2 | C9 H9 N3 | InChI=1S/C9H9N3/c10-8-4-3 -5-11-9(8)12-6-1-2-7-12/h 1-7H,10H2; QCTDPVKLZRURRV-UHFFFAOYSA-N |
Nc1cccnc1n1cccc1; Nc1cccnc1n2cccc2; c1cc n(c1)c2c(cccn2)N |
2-(1H-pyrrol-1-yl)pyridin-3-amine |
| 13557 |  A1B0O |
1 | C12 H14 F N O2 | InChI=1S/C12H14FNO2/c1-8- 4-3-5-9(11(8)13)16-10-6-7 -14(2)12(10)15/h3-5,10H,6 -7H2,1-2H3; ZGHOVIJLBUUPON-UHFFFAOYSA-N |
CN1CC[CH](Oc2cccc(C)c2F)C1=O; Cc1cccc(c1 F)OC2CCN(C2=O)C; Cc1cccc(c1F)O[C@@H]2CCN (C2=O)C; CN1CC[C@@H](Oc2cccc(C)c2F)C1=O; CN1CCC(Oc2cccc(C)c2F)C1=O |
(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one |
| 13558 |  A1B0P |
1 | C12 H22 N2 O3 S | InChI=1S/C12H22N2O3S/c1-1 0-11(12(15)13-7-3-4-8-13) 6-5-9-14(10)18(2,16)17/h1 0-11H,3-9H2,1-2H3/t10-,11 -/m1/s1; YDPJOGQGKXEOGX-GHMZBOCLSA-N |
C[C@@H]1[C@@H](CCCN1[S](C)(=O)=O)C(=O)N2 CCCC2; C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C( =O)N2CCCC2; CC1C(CCCN1S(=O)(=O)C)C(=O)N2 CCCC2; O=S(C)(=O)N1CCCC(C(=O)N2CCCC2)C1C ; C[CH]1[CH](CCCN1[S](C)(=O)=O)C(=O)N2CC CC2 |
[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone |
| 13559 |  A1B0W CHEMBL532155 |
1 | C22 H27 N3 O2 S | InChI=1S/C22H27N3O2S/c1-2 4-18-10-5-4-9-16(18)20-17 (22(24)27)15-19(28-20)21( 26)23-11-8-14-25-12-6-2-3 -7-13-25/h4-5,9-10,15H,2- 3,6-8,11-14H2,1H3,(H,23,2 6); NVFMMXVDSJFVNO-UHFFFAOYSA-N |
CN1C(=O)c2cc(sc2c3ccccc13)C(=O)NCCCN4CCC CCC4; O=C(NCCCN1CCCCCC1)c1cc2C(=O)N(C)c3 ccccc3c2s1; CN1c2ccccc2-c3c(cc(s3)C(=O)N CCCN4CCCCCC4)C1=O |
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide |
| 13560 |  A1B0X |
2 | C66 H75 Cl2 F6 N9 O13 | InChI=1S/C66H75Cl2F6N9O13 /c1-40-38-83(39-41(2)82(4 0)3)58-12-6-42(32-57(58)8 1-64(88)48-36-79-61(86)34 -50(48)66(72,73)74)47-30- 44(5-9-52(47)69)63(87)77- 15-17-91-19-21-93-23-25-9 5-27-29-96-28-26-94-24-22 -92-20-18-90-16-14-76-60( 85)13-11-55-62(46-8-7-45( 67)33-54(46)71)49(37-78-5 5)65(89)80-56(35-59(75)84 )43-4-10-53(70)51(68)31-4 3/h4-13,30-33,36-37,40-41 ,56,78H,14-29,34-35,38-39 H2,1-3H3,(H2,75,84)(H,76, 85)(H,77,87)(H,80,89)(H,8 1,88)/b13-11+/t40-,41+,56 -/m0/s1; KZMCNBGJMHJDSL-DUFOJSKJSA-N |
C[C@@H]1CN(C[C@@H](N1C)C)c2ccc(cc2NC(=O) C3=C(CC(=O)N=C3)C(F)(F)F)c4cc(ccc4F)C(=O )NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)/C=C/c5c( c(c[nH]5)C(=O)N[C@@H](CC(=O)N)c6ccc(c(c6 )Cl)F)c7ccc(cc7F)Cl; C[C@@H]1CN(C[C@H](C )N1C)c2ccc(cc2NC(=O)C3=C(CC(=O)N=C3)C(F) (F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCO CCOCCNC(=O)/C=C/c5[nH]cc(C(=O)N[C@@H](CC (N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F; C [CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=C( CC(=O)N=C3)C(F)(F)F)c4cc(ccc4F)C(=O)NCCO CCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5[nH]cc(C( =O)N[CH](CC(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc (Cl)cc7F; Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c 1c[NH]c(/C=C/C(=O)NCCOCCOCCOCCOCCOCCOCCO CCNC(=O)c2cc(c(F)cc2)c2ccc(N3CC(C)N(C)C( C)C3)c(NC(=O)C=3C=NC(=O)CC=3C(F)(F)F)c2) c1c1ccc(Cl)cc1F; CC1CN(CC(N1C)C)c2ccc(cc 2NC(=O)C3=C(CC(=O)N=C3)C(F)(F)F)c4cc(ccc 4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C= Cc5c(c(c[nH]5)C(=O)NC(CC(=O)N)c6ccc(c(c6 )Cl)F)c7ccc(cc7F)Cl |
N-{(1P)-5'-({(26E)-27-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-26-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carboxamide |
| 13561 |  A1B0Y |
2 | C71 H83 Cl2 F7 N8 O14 | InChI=1S/C71H83Cl2F7N8O14 /c1-45-43-88(44-46(2)87(4 5)3)64-14-6-47(38-63(64)8 6-69(92)52-10-8-51(74)40- 56(52)71(78,79)80)54-36-4 9(5-11-58(54)75)68(91)83- 17-19-95-21-23-97-25-27-9 9-29-31-101-33-35-102-34- 32-100-30-28-98-26-24-96- 22-20-94-18-16-82-66(90)1 5-13-61-67(53-9-7-50(72)3 9-60(53)77)55(42-84-61)70 (93)85-62(41-65(81)89)48- 4-12-59(76)57(73)37-48/h4 -15,36-40,42,45-46,62,84H ,16-35,41,43-44H2,1-3H3,( H2,81,89)(H,82,90)(H,83,9 1)(H,85,93)(H,86,92)/b15- 13+/t45-,46+,62-/m0/s1; PGMKFALUQKHOTK-AEIRQVAISA-N |
C[C@@H]1CN(C[C@@H](N1C)C)c2ccc(cc2NC(=O) c3ccc(cc3C(F)(F)F)F)c4cc(ccc4F)C(=O)NCCO CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)/C=C/c5c (c(c[nH]5)C(=O)N[C@@H](CC(=O)N)c6ccc(c(c 6)Cl)F)c7ccc(cc7F)Cl; C[C@H]1CN(C[C@@H]( C)N1C)c2ccc(cc2NC(=O)c3ccc(F)cc3C(F)(F)F )c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOC COCCOCCNC(=O)\C=C\c5[nH]cc(C(=O)N[C@@H]( CC(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F; Clc1ccc(c(F)c1)c1c(c[NH]c1/C=C/C(=O)NCC OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(c( F)cc1)c1ccc(N2CC(C)N(C)C(C)C2)c(NC(=O)c2 ccc(F)cc2C(F)(F)F)c1)C(=O)NC(CC(=O)N)c1c cc(F)c(Cl)c1; CC1CN(CC(N1C)C)c2ccc(cc2NC (=O)c3ccc(cc3C(F)(F)F)F)c4cc(ccc4F)C(=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc 5c(c(c[nH]5)C(=O)NC(CC(=O)N)c6ccc(c(c6)C l)F)c7ccc(cc7F)Cl; C[CH]1CN(C[CH](C)N1C) c2ccc(cc2NC(=O)c3ccc(F)cc3C(F)(F)F)c4cc( ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOC CNC(=O)C=Cc5[nH]cc(C(=O)N[CH](CC(N)=O)c6 ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F |
(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(34E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32-diazapentatriacont-34-en-35-yl]-1H-pyrrole-3-carboxamide |
| 13562 |  A1B10 |
1 | C16 H19 N3 O3 | InChI=1S/C16H19N3O3/c1-10 (14-12-6-2-3-7-13(12)22-1 8-14)16(21)19-8-4-5-11(9- 19)15(17)20/h2-3,6-7,10-1 1H,4-5,8-9H2,1H3,(H2,17,2 0)/t10-,11+/m1/s1; YGQQTIGGJIFJGJ-MNOVXSKESA-N |
CC(c1c2ccccc2on1)C(=O)N3CCCC(C3)C(=O)N; C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2noc3ccc cc23; C[C@H](c1c2ccccc2on1)C(=O)N3CCC[C@ @H](C3)C(=O)N; C[C@@H](C(=O)N1CCC[C@@H]( C1)C(N)=O)c2noc3ccccc23; NC(=O)C1CCCN(C1 )C(=O)C(C)c1noc2ccccc21 |
(3S)-1-[(2R)-2-(1,2-benzoxazol-3-yl)propanoyl]piperidine-3-carboxamide |
| 13563 |  A1B11 |
1 | C14 H17 F3 N4 O2 | InChI=1S/C14H17F3N4O2/c15 -14(16,17)21-10(3-6-19-21 )13(4-5-13)12(23)20-7-1-2 -9(8-20)11(18)22/h3,6,9H, 1-2,4-5,7-8H2,(H2,18,22)/ t9-/m0/s1; QCOUSVMUBLQHPP-VIFPVBQESA-N |
FC(F)(F)n1nccc1C1(CC1)C(=O)N1CCCC(C1)C(N )=O; NC(=O)[C@H]1CCCN(C1)C(=O)C2(CC2)c3c cnn3C(F)(F)F; c1cnn(c1C2(CC2)C(=O)N3CCCC (C3)C(=O)N)C(F)(F)F; NC(=O)[CH]1CCCN(C1) C(=O)C2(CC2)c3ccnn3C(F)(F)F; c1cnn(c1C2( CC2)C(=O)N3CCC[C@@H](C3)C(=O)N)C(F)(F)F |
(3S)-1-{1-[1-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropane-1-carbonyl}piperidine-3-carboxamide |
| 13564 |  A1B12 |
2 | C14 H19 F3 N4 O2 | InChI=1S/C14H19F3N4O2/c1- 8(10-7-20(2)19-11(10)14(1 5,16)17)13(23)21-5-3-4-9( 6-21)12(18)22/h7-9H,3-6H2 ,1-2H3,(H2,18,22)/t8-,9+/ m1/s1; CYDVRWFNSPMYQH-BDAKNGLRSA-N |
C[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2cn(C )nc2C(F)(F)F; C[CH](C(=O)N1CCC[CH](C1)C( N)=O)c2cn(C)nc2C(F)(F)F; C[C@@H](c1cn(nc 1C(F)(F)F)C)C(=O)N2CCC[C@@H](C2)C(=O)N; CC(c1cn(nc1C(F)(F)F)C)C(=O)N2CCCC(C2)C(= O)N; FC(F)(F)c1nn(C)cc1C(C)C(=O)N1CCCC(C 1)C(N)=O |
(3S)-1-{(2R)-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoyl}piperidine-3-carboxamide |
| 13565 |  A1B13 |
1 | C13 H18 N2 O2 S | InChI=1S/C13H18N2O2S/c1-9 (11-5-3-7-18-11)13(17)15- 6-2-4-10(8-15)12(14)16/h3 ,5,7,9-10H,2,4,6,8H2,1H3, (H2,14,16)/t9-,10+/m1/s1; JQNFTWVJWFLFOK-ZJUUUORDSA-N |
C[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2sccc 2; CC(c1cccs1)C(=O)N2CCCC(C2)C(=O)N; O=C (C(C)c1cccs1)N1CCCC(C1)C(N)=O; C[C@@H](c 1cccs1)C(=O)N2CCC[C@@H](C2)C(=O)N; C[CH] (C(=O)N1CCC[CH](C1)C(N)=O)c2sccc2 |
(3S)-1-[(2S)-2-(thiophen-2-yl)propanoyl]piperidine-3-carboxamide |
| 13566 |  A1B14 |
2 | C16 H20 Cl N3 O3 | InChI=1S/C16H20ClN3O3/c17 -12-3-4-14-13(8-12)19(6-7 -23-14)10-15(21)20-5-1-2- 11(9-20)16(18)22/h3-4,8,1 1H,1-2,5-7,9-10H2,(H2,18, 22)/t11-/m0/s1; IOHMNWTYJRXITL-NSHDSACASA-N |
NC(=O)C1CCCN(C1)C(=O)CN1CCOc2ccc(Cl)cc21 ; NC(=O)[CH]1CCCN(C1)C(=O)CN2CCOc3ccc(Cl )cc23; c1cc2c(cc1Cl)N(CCO2)CC(=O)N3CCCC( C3)C(=O)N; NC(=O)[C@H]1CCCN(C1)C(=O)CN2C COc3ccc(Cl)cc23; c1cc2c(cc1Cl)N(CCO2)CC( =O)N3CCC[C@@H](C3)C(=O)N |
(3S)-1-[(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperidine-3-carboxamide |
| 13567 |  A1B15 |
2 | C17 H21 N3 O2 | InChI=1S/C17H21N3O2/c1-12 -4-5-15-13(9-12)6-8-19(15 )11-16(21)20-7-2-3-14(10- 20)17(18)22/h4-6,8-9,14H, 2-3,7,10-11H2,1H3,(H2,18, 22)/t14-/m0/s1; YRQRTFXUBOFTEB-AWEZNQCLSA-N |
Cc1ccc2n(CC(=O)N3CCC[CH](C3)C(N)=O)ccc2c 1; Cc1ccc2c(c1)ccn2CC(=O)N3CCCC(C3)C(=O) N; Cc1ccc2c(c1)ccn2CC(=O)N3CCC[C@@H](C3) C(=O)N; O=C(Cn1ccc2cc(C)ccc21)N1CCCC(C1) C(N)=O; Cc1ccc2n(CC(=O)N3CCC[C@@H](C3)C( N)=O)ccc2c1 |
(3S)-1-[(5-methyl-1H-indol-1-yl)acetyl]piperidine-3-carboxamide |
| 13568 |  A1B16 |
1 | C12 H14 N2 O2 | InChI=1S/C12H14N2O2/c13-1 2(16)9-6-7-11(15)14(8-9)1 0-4-2-1-3-5-10/h1-5,9H,6- 8H2,(H2,13,16)/t9-/m0/s1; QUDHARAVDXCJDA-VIFPVBQESA-N |
NC(=O)[C@H]1CCC(=O)N(C1)c2ccccc2; c1ccc( cc1)N2C[C@H](CCC2=O)C(=O)N; NC(=O)[CH]1C CC(=O)N(C1)c2ccccc2; NC(=O)C1CCC(=O)N(C1 )c1ccccc1; c1ccc(cc1)N2CC(CCC2=O)C(=O)N |
(3S)-6-oxo-1-phenylpiperidine-3-carboxamide |
| 13569 |  A1B17 |
2 | C14 H17 N3 O2 S | InChI=1S/C14H17N3O2S/c15- 13(18)9-4-2-6-17(7-9)14(1 9)12-11-10(8-20-12)3-1-5- 16-11/h1,3,5,9,12H,2,4,6- 8H2,(H2,15,18)/t9-,12+/m0 /s1; VXTCJEPNAMERNR-JOYOIKCWSA-N |
c1cc2c(nc1)[C@@H](SC2)C(=O)N3CCC[C@@H](C 3)C(=O)N; NC(=O)C1CCCN(C1)C(=O)C1SCc2ccc nc12; NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2SC c3cccnc23; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2 SCc3cccnc23; c1cc2c(nc1)C(SC2)C(=O)N3CCC C(C3)C(=O)N |
(3S)-1-[(7R)-5,7-dihydrothieno[3,4-b]pyridine-7-carbonyl]piperidine-3-carboxamide |
| 13570 |  A1B18 |
2 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c16-1 5(20)12-3-4-14(19)18(9-12 )8-10-1-2-11-5-6-17-13(11 )7-10/h1-2,5-7,12,17H,3-4 ,8-9H2,(H2,16,20)/t12-/m0 /s1; DJIPBZNZGHFGJT-LBPRGKRZSA-N |
NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccc3cc[nH]c3c 2; c1cc(cc2c1cc[nH]2)CN3CC(CCC3=O)C(=O)N ; c1cc(cc2c1cc[nH]2)CN3C[C@H](CCC3=O)C(= O)N; NC(=O)C1CCC(=O)N(Cc2cc3[NH]ccc3cc2) C1; NC(=O)[CH]1CCC(=O)N(C1)Cc2ccc3cc[nH] c3c2 |
(3S)-1-[(1H-indol-6-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 13571 |  A1B19 |
1 | C13 H18 N2 O2 S | InChI=1S/C13H18N2O2S/c1-9 (11-5-3-7-18-11)13(17)15- 6-2-4-10(8-15)12(14)16/h3 ,5,7,9-10H,2,4,6,8H2,1H3, (H2,14,16)/t9-,10+/m1/s1; JQNFTWVJWFLFOK-ZJUUUORDSA-N |
C[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2scc c2; CC(c1cccs1)C(=O)N2CCCC(C2)C(=O)N; O= C(C(C)c1cccs1)N1CCCC(C1)C(N)=O; C[C@H](c 1cccs1)C(=O)N2CCC[C@@H](C2)C(=O)N; C[CH] (C(=O)N1CCC[CH](C1)C(N)=O)c2sccc2 |
(3S)-1-[(2S)-2-(thiophen-2-yl)propanoyl]piperidine-3-carboxamide |
| 13572 |  A1B1A |
2 | C15 H21 N3 O2 | InChI=1S/C15H21N3O2/c1-11 -4-2-5-12(8-11)9-17-15(20 )18-7-3-6-13(10-18)14(16) 19/h2,4-5,8,13H,3,6-7,9-1 0H2,1H3,(H2,16,19)(H,17,2 0)/t13-/m0/s1; DVNZCRUHPFYGIQ-ZDUSSCGKSA-N |
Cc1cccc(CNC(=O)N2CCC[C@@H](C2)C(N)=O)c1; Cc1cccc(c1)CNC(=O)N2CCCC(C2)C(=O)N; Cc1 cccc(CNC(=O)N2CCC[CH](C2)C(N)=O)c1; O=C( NCc1cccc(C)c1)N1CCCC(C1)C(N)=O; Cc1cccc( c1)CNC(=O)N2CCC[C@@H](C2)C(=O)N |
(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide |
| 13573 |  A1B1B |
2 | C15 H19 Cl N2 O3 | InChI=1S/C15H19ClN2O3/c1- 21-13-6-2-5-12(16)11(13)8 -14(19)18-7-3-4-10(9-18)1 5(17)20/h2,5-6,10H,3-4,7- 9H2,1H3,(H2,17,20)/t10-/m 0/s1; NHPQEFHMDYOTOA-JTQLQIEISA-N |
COc1cccc(c1CC(=O)N2CCCC(C2)C(=O)N)Cl; CO c1cccc(Cl)c1CC(=O)N2CCC[CH](C2)C(N)=O; C Oc1cccc(Cl)c1CC(=O)N2CCC[C@H](C2)C(N)=O; O=C(Cc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O; C Oc1cccc(c1CC(=O)N2CCC[C@H](C2)C(=O)N)Cl |
(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| 13574 |  A1B1C |
1 | C16 H22 N2 O4 | InChI=1S/C16H22N2O4/c1-21 -13-8-4-3-7-12(13)14(22-2 )16(20)18-9-5-6-11(10-18) 15(17)19/h3-4,7-8,11,14H, 5-6,9-10H2,1-2H3,(H2,17,1 9)/t11-,14?/m0/s1; SGKREISFYQPEPI-ZSOXZCCMSA-N |
COc1ccccc1[C@@H](C(=O)N2CCC[C@@H](C2)C(= O)N)OC; O=C(C(OC)c1ccccc1OC)N1CCCC(C1)C( N)=O; CO[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O )c2ccccc2OC; COc1ccccc1C(C(=O)N2CCCC(C2) C(=O)N)OC; CO[CH](C(=O)N1CCC[CH](C1)C(N) =O)c2ccccc2OC |
(3S)-1-[(2R)-2-methoxy-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| 13575 |  A1B1D |
1 | C14 H19 N3 O3 | InChI=1S/C14H19N3O3/c1-20 -12-4-5-16-8-11(12)7-13(1 8)17-6-2-3-10(9-17)14(15) 19/h4-5,8,10H,2-3,6-7,9H2 ,1H3,(H2,15,19)/t10-/m0/s 1; ZKUXUDCBALXGFV-JTQLQIEISA-N |
COc1ccncc1CC(=O)N2CCCC(C2)C(=O)N; COc1cc ncc1CC(=O)N2CCC[C@H](C2)C(N)=O; O=C(Cc1c nccc1OC)N1CCCC(C1)C(N)=O; COc1ccncc1CC(= O)N2CCC[CH](C2)C(N)=O; COc1ccncc1CC(=O)N 2CCC[C@H](C2)C(=O)N |
(3S)-1-[(4-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide |
| 13576 |  A1B1E |
1 | C14 H19 N3 O3 | InChI=1S/C14H19N3O3/c1-20 -12(10-4-2-6-16-8-10)14(1 9)17-7-3-5-11(9-17)13(15) 18/h2,4,6,8,11-12H,3,5,7, 9H2,1H3,(H2,15,18)/t11-,1 2-/m0/s1; OGJQECZREBVMTE-RYUDHWBXSA-N |
CO[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2cccnc2 ; O=C(C(OC)c1cccnc1)N1CCCC(C1)C(N)=O; CO C(c1cccnc1)C(=O)N2CCCC(C2)C(=O)N; CO[C@H ](c1cccnc1)C(=O)N2CCC[C@@H](C2)C(=O)N; C O[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2ccc nc2 |
(3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide |
| 13577 |  A1B1I |
2 | C20 H25 N O2 | InChI=1S/C20H25NO2/c1-14- 9-15(2)11-17(10-14)12-16( 3)13-20(22)21-18-7-5-6-8- 19(18)23-4/h5-11,16H,12-1 3H2,1-4H3,(H,21,22)/t16-/ m0/s1; XJYBAKSVSQKCNC-INIZCTEOSA-N |
COc1ccccc1NC(=O)C[C@@H](C)Cc2cc(C)cc(C)c 2; COc1ccccc1NC(=O)CC(C)Cc1cc(C)cc(C)c1; COc1ccccc1NC(=O)C[CH](C)Cc2cc(C)cc(C)c2 ; Cc1cc(cc(c1)CC(C)CC(=O)Nc2ccccc2OC)C; Cc1cc(cc(c1)C[C@H](C)CC(=O)Nc2ccccc2OC)C |
(3S)-4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide |
| 13578 |  A1B1J |
2 | C20 H25 N O2 | InChI=1S/C20H25NO2/c1-14- 9-15(2)11-17(10-14)12-16( 3)13-20(22)21-18-7-5-6-8- 19(18)23-4/h5-11,16H,12-1 3H2,1-4H3,(H,21,22)/t16-/ m1/s1; XJYBAKSVSQKCNC-MRXNPFEDSA-N |
COc1ccccc1NC(=O)CC(C)Cc1cc(C)cc(C)c1; Cc 1cc(cc(c1)C[C@@H](C)CC(=O)Nc2ccccc2OC)C; COc1ccccc1NC(=O)C[CH](C)Cc2cc(C)cc(C)c2 ; Cc1cc(cc(c1)CC(C)CC(=O)Nc2ccccc2OC)C; COc1ccccc1NC(=O)C[C@H](C)Cc2cc(C)cc(C)c2 |
(3R)-4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide |
| 13579 |  A1B1K |
1 | C13 H22 N2 O3 | InChI=1S/C13H22N2O3/c1-13 (6-2-3-8-18-13)12(17)15-7 -4-5-10(9-15)11(14)16/h10 H,2-9H2,1H3,(H2,14,16)/t1 0-,13+/m0/s1; YJRYXQGADMRDQO-GXFFZTMASA-N |
C[C]1(CCCCO1)C(=O)N2CCC[CH](C2)C(N)=O; C C1(CCCCO1)C(=O)N2CCCC(C2)C(=O)N; C[C@@]1 (CCCCO1)C(=O)N2CCC[C@@H](C2)C(N)=O; CC1( CCCCO1)C(=O)N1CCCC(C1)C(N)=O; C[C@@]1(CC CCO1)C(=O)N2CCC[C@@H](C2)C(=O)N |
(3S)-1-[(2R)-2-methyloxane-2-carbonyl]piperidine-3-carboxamide |
| 13580 |  A1B1L |
1 | C17 H21 N3 O3 | InChI=1S/C17H21N3O3/c18-1 7(23)13-2-1-7-20(10-13)16 (22)9-11-3-5-14-12(8-11)4 -6-15(21)19-14/h3,5,8,13H ,1-2,4,6-7,9-10H2,(H2,18, 23)(H,19,21)/t13-/m0/s1; HFCZUIHMPUCWLX-ZDUSSCGKSA-N |
c1cc2c(cc1CC(=O)N3CCC[C@@H](C3)C(=O)N)CC C(=O)N2; O=C(Cc1ccc2NC(=O)CCc2c1)N1CCCC( C1)C(N)=O; NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc c3NC(=O)CCc3c2; NC(=O)[C@H]1CCCN(C1)C(=O )Cc2ccc3NC(=O)CCc3c2; c1cc2c(cc1CC(=O)N3 CCCC(C3)C(=O)N)CCC(=O)N2 |
(3S)-1-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acetyl]piperidine-3-carboxamide |
| 13581 |  A1B1M |
1 | C15 H20 N2 O4 | InChI=1S/C15H20N2O4/c1-21 -13-5-3-2-4-11(13)12(18)9 -17-8-10(15(16)20)6-7-14( 17)19/h2-5,10,12,18H,6-9H 2,1H3,(H2,16,20)/t10-,12- /m0/s1; COPNVNDXUDILLN-JQWIXIFHSA-N |
COc1ccccc1C(CN2CC(CCC2=O)C(=O)N)O; OC(CN 1CC(CCC1=O)C(N)=O)c1ccccc1OC; COc1ccccc1 [C@H](O)CN2C[C@H](CCC2=O)C(N)=O; COc1ccc cc1[CH](O)CN2C[CH](CCC2=O)C(N)=O; COc1cc ccc1[C@@H](CN2C[C@H](CCC2=O)C(=O)N)O |
(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide |
| 13582 |  A1B1N |
1 | C12 H16 N4 O3 | InChI=1S/C12H16N4O3/c1-19 -11-9(3-2-5-14-11)15-12(1 8)16-6-4-8(7-16)10(13)17/ h2-3,5,8H,4,6-7H2,1H3,(H2 ,13,17)(H,15,18)/t8-/m0/s 1; IOCUHOZGYZOKAP-QMMMGPOBSA-N |
COc1c(cccn1)NC(=O)N2CCC(C2)C(=O)N; COc1n cccc1NC(=O)N2CC[CH](C2)C(N)=O; COc1ncccc 1NC(=O)N2CC[C@@H](C2)C(N)=O; COc1c(cccn1 )NC(=O)N2CC[C@@H](C2)C(=O)N; O=C(N)C1CCN (C1)C(=O)Nc1cccnc1OC |
(3S)-N~1~-(2-methoxypyridin-3-yl)pyrrolidine-1,3-dicarboxamide |
| 13583 |  A1B1O |
1 | C16 H16 N4 O | InChI=1S/C16H16N4O/c1-3-1 4(17-9-8-12-10-21-11-18-1 2)16-13-6-4-5-7-15(13)20( 2)19-16/h1,4-7,10-11,14,1 7H,8-9H2,2H3; MQYDMMMAXHURPN-UHFFFAOYSA-N |
Cn1c2ccccc2c(n1)[C@H](C#C)NCCc3cocn3; Cn 1nc([CH](NCCc2cocn2)C#C)c3ccccc13; Cn1c2 ccccc2c(n1)C(C#C)NCCc3cocn3; Cn1nc([C@H] (NCCc2cocn2)C#C)c3ccccc13; Cn1nc(C(NCCc2 cocn2)C#C)c2ccccc21 |
(1R)-1-(1-methyl-1H-indazol-3-yl)-N-[2-(1,3-oxazol-4-yl)ethyl]prop-2-yn-1-amine |
| 13584 |  A1B1P |
9 | C15 H16 N2 O4 | InChI=1S/C15H16N2O4/c18-1 3(19)6-5-11-14-9(7-12(16- 11)15(20)21)8-3-1-2-4-10( 8)17-14/h1-4,11-12,16-17H ,5-7H2,(H,18,19)(H,20,21) /t11-,12-/m0/s1; PPKGNUKJFFAWHY-RYUDHWBXSA-N |
c1ccc2c(c1)c3c([nH]2)[C@@H](N[C@@H](C3)C (=O)O)CCC(=O)O; c1ccc2c(c1)c3c([nH]2)C(N C(C3)C(=O)O)CCC(=O)O; OC(=O)CC[CH]1N[CH] (Cc2c1[nH]c3ccccc23)C(O)=O; OC(=O)CC[C@@ H]1N[C@@H](Cc2c1[nH]c3ccccc23)C(O)=O; O= C(O)CCC1NC(Cc2c3ccccc3[NH]c21)C(=O)O |
(1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| 13585 |  A1B1V |
3 | C20 H18 F N3 O2 S | InChI=1S/C20H18FN3O2S/c1- 27(23,26)17-9-4-14(5-10-1 7)20(25)24-19-12-15(6-11- 18(19)22)13-2-7-16(21)8-3 -13/h2-12,23H,22H2,1H3,(H ,24,25)/t27-/m1/s1; JPFMYSJUFUEHBI-HHHXNRCGSA-N |
C[S@@](=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N )c3ccc(F)cc3; O=S(C)(=N)c1ccc(cc1)C(=O)N c1cc(ccc1N)c1ccc(F)cc1; CS(=N)(=O)c1ccc( cc1)C(=O)Nc2cc(ccc2N)c3ccc(cc3)F; C[S](= N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(F )cc3 |
(R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide |
| 13586 |  A1B1X |
1 | C14 H20 N4 O2 | InChI=1S/C14H20N4O2/c1-9- 12(10(2)17-8-16-9)6-13(19 )18-5-3-4-11(7-18)14(15)2 0/h8,11H,3-7H2,1-2H3,(H2, 15,20)/t11-/m0/s1; YTDTZVUMJMJXOJ-NSHDSACASA-N |
Cc1c(c(ncn1)C)CC(=O)N2CCCC(C2)C(=O)N; Cc 1ncnc(C)c1CC(=O)N2CCC[C@@H](C2)C(N)=O; C c1c(c(ncn1)C)CC(=O)N2CCC[C@@H](C2)C(=O)N ; Cc1ncnc(C)c1CC(=O)N2CCC[CH](C2)C(N)=O; O=C(Cc1c(C)ncnc1C)N1CCCC(C1)C(N)=O |
(3S)-1-[(4,6-dimethylpyrimidin-5-yl)acetyl]piperidine-3-carboxamide |
| 13587 |  A1B1Y |
1 | C15 H22 N4 O2 | InChI=1S/C15H22N4O2/c16-1 3(20)12-5-3-9-18(11-12)14 (21)15(6-1-2-7-15)19-10-4 -8-17-19/h4,8,10,12H,1-3, 5-7,9,11H2,(H2,16,20)/t12 -/m0/s1; YQFLIUDOUNFRNX-LBPRGKRZSA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)C2(CCCC2)n3cccn 3; c1cnn(c1)C2(CCCC2)C(=O)N3CCCC(C3)C(=O )N; NC(=O)[CH]1CCCN(C1)C(=O)C2(CCCC2)n3c ccn3; c1cnn(c1)C2(CCCC2)C(=O)N3CCC[C@@H] (C3)C(=O)N; NC(=O)C1CCCN(C1)C(=O)C1(CCCC 1)n1cccn1 |
(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-carboxamide |
| 13588 |  A1B1Z |
1 | C12 H16 N4 O2 S | InChI=1S/C12H16N4O2S/c13- 11(17)7-2-1-5-16(6-7)12(1 8)8-3-4-9-10(8)14-15-19-9 /h7-8H,1-6H2,(H2,13,17)/t 7-,8+/m0/s1; FSHIEOXXSXYCQT-JGVFFNPUSA-N |
NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCc3snnc2 3; C1C[C@@H](CN(C1)C(=O)[C@H]2CCc3c2nns3 )C(=O)N; NC(=O)C1CCCN(C1)C(=O)C1CCc2snnc 21; C1CC(CN(C1)C(=O)C2CCc3c2nns3)C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3snnc23 |
(3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide |
| 13589 |  A1B20 |
1 | C27 H40 Cl2 N6 O4 | InChI=1S/C27H40Cl2N6O4/c1 -26(2,3)21(34-25(39)35-27 (4,5)6)24(38)33-20(12-15- 7-8-18(28)19(29)11-15)23( 37)32-17(14-30)13-16-9-10 -31-22(16)36/h7-8,11,14,1 6-17,20-21,30H,9-10,12-13 H2,1-6H3,(H,31,36)(H,32,3 7)(H,33,38)(H2,34,35,39)/ b30-14-/t16-,17-,20-,21+/ m0/s1; DSLMJFKHVGAAPN-MRVYHDRMSA-N |
[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H ](Cc2ccc(c(c2)Cl)Cl)NC(=O)[C@H](C(C)(C)C )NC(=O)NC(C)(C)C; CC(C)(C)C(C(=O)NC(Cc1c cc(c(c1)Cl)Cl)C(=O)NC(CC2CCNC2=O)C=N)NC( =O)NC(C)(C)C; CC(C)(C)NC(=O)N[CH](C(=O)N [CH](Cc1ccc(Cl)c(Cl)c1)C(=O)N[CH](C[CH]2 CCNC2=O)C=N)C(C)(C)C; CC(C)(C)NC(=O)N[C@ H](C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N [C@@H](C[C@@H]2CCNC2=O)C=N)C(C)(C)C; CC( C)(C)NC(=O)NC(C(=O)NC(Cc1ccc(Cl)c(Cl)c1) C(=O)NC(CC1CCNC1=O)C=N)C(C)(C)C |
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-3,4-dichloro-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide |
| 13590 |  A1B21 |
1 | C30 H50 N6 O4 | InChI=1S/C30H50N6O4/c1-28 (2,3)22(35-27(40)36-29(4, 5)6)25(38)34-23(30-13-17- 9-18(14-30)11-19(10-17)15 -30)26(39)33-21(16-31)12- 20-7-8-32-24(20)37/h16-23 ,31H,7-15H2,1-6H3,(H,32,3 7)(H,33,39)(H,34,38)(H2,3 5,36,40)/b31-16-/t17-,18+ ,19-,20-,21-,22+,23+,30-/ m0/s1; WQRZJGAWMRCVBF-LIUVVVFXSA-N |
CC(C)(C)NC(=O)N[CH](C(=O)N[CH](C(=O)N[CH ](C[CH]1CCNC1=O)C=N)C23CC4CC(CC(C4)C2)C3 )C(C)(C)C; CC(C)(C)C(C(=O)NC(C(=O)NC(CC1 CCNC1=O)C=N)C23CC4CC(C2)CC(C4)C3)NC(=O)N C(C)(C)C; [H]/N=C\[C@H](C[C@@H]1CCNC1=O) NC(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)[ C@H](C(C)(C)C)NC(=O)NC(C)(C)C; CC(C)(C)N C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C[C @@H]1CCNC1=O)C=N)C23CC4CC(CC(C4)C2)C3)C( C)(C)C; CC(C)(C)NC(=O)NC(C(=O)NC(C(=O)NC (CC1CCNC1=O)C=N)C12CC3CC(C1)CC(C3)C2)C(C )(C)C |
N-[(1S)-1-[(3R,5R,7R)-adamantan-1-yl]-2-({(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-2-oxoethyl]-N~2~-(tert-butylcarbamoyl)-3-methyl-L-valinamide |
| 13591 |  A1B22 |
1 | C12 H15 N O2 S | InChI=1S/C12H15NO2S/c1-16 -11-5-3-2-4-9(11)6-12(15) 13-7-10(14)8-13/h2-5,10,1 4H,6-8H2,1H3; YMOIRNXOTTYMES-UHFFFAOYSA-N |
CSc1ccccc1CC(=O)N2CC(O)C2; OC1CN(C1)C(=O )Cc1ccccc1SC; CSc1ccccc1CC(=O)N2CC(C2)O |
1-(3-hydroxyazetidin-1-yl)-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13592 |  A1B23 |
1 | C13 H16 N2 O2 S | InChI=1S/C13H16N2O2S/c1-1 8-11-5-3-2-4-10(11)8-13(1 7)15-7-6-14-12(16)9-15/h2 -5H,6-9H2,1H3,(H,14,16); DSPNJSCWZPVLHX-UHFFFAOYSA-N |
O=C1CN(CCN1)C(=O)Cc1ccccc1SC; CSc1ccccc1 CC(=O)N2CCNC(=O)C2 |
4-{[2-(methylsulfanyl)phenyl]acetyl}piperazin-2-one |
| 13593 |  A1B24 |
1 | C15 H18 F2 N2 O2 S | InChI=1S/C15H18F2N2O2S/c1 -22-12-5-3-2-4-10(12)8-13 (20)19-7-6-15(16,17)11(9- 19)14(18)21/h2-5,11H,6-9H 2,1H3,(H2,18,21)/t11-/m0/ s1; QMMKKHPCWQJEDH-NSHDSACASA-N |
CSc1ccccc1CC(=O)N2CCC(F)(F)[CH](C2)C(N)= O; CSc1ccccc1CC(=O)N2CCC(F)(F)[C@@H](C2) C(N)=O; CSc1ccccc1CC(=O)N2CCC([C@@H](C2) C(=O)N)(F)F; CSc1ccccc1CC(=O)N2CCC(C(C2) C(=O)N)(F)F; O=C(Cc1ccccc1SC)N1CCC(F)(F) C(C1)C(N)=O |
(3S)-4,4-difluoro-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| 13594 |  A1B25 |
1 | C13 H21 N5 O2 S | InChI=1S/C13H21N5O2S/c1-8 -10(12(21-3)17(2)16-8)15- 13(20)18-6-4-5-9(7-18)11( 14)19/h9H,4-7H2,1-3H3,(H2 ,14,19)(H,15,20)/t9-/m0/s 1; FQKAQMHJXGTAAH-VIFPVBQESA-N |
CSc1n(C)nc(C)c1NC(=O)N2CCC[C@@H](C2)C(N) =O; Cc1c(c(n(n1)C)SC)NC(=O)N2CCCC(C2)C(= O)N; CSc1n(C)nc(C)c1NC(=O)N2CCC[CH](C2)C (N)=O; Cc1nn(C)c(SC)c1NC(=O)N1CCCC(C1)C( N)=O; Cc1c(c(n(n1)C)SC)NC(=O)N2CCC[C@@H] (C2)C(=O)N |
(3S)-N~1~-[1,3-dimethyl-5-(methylsulfanyl)-1H-pyrazol-4-yl]piperidine-1,3-dicarboxamide |
| 13595 |  A1B26 |
1 | C16 H19 N3 O S | InChI=1S/C16H19N3OS/c1-21 -15-7-3-2-5-12(15)9-16(20 )19-8-4-6-14(19)13-10-17- 11-18-13/h2-3,5,7,10-11,1 4H,4,6,8-9H2,1H3,(H,17,18 )/t14-/m1/s1; IQMOOOOGYWCBAO-CQSZACIVSA-N |
CSc1ccccc1CC(=O)N2CCC[C@@H]2c3[nH]cnc3; CSc1ccccc1CC(=O)N2CCC[C@@H]2c3cnc[nH]3; O=C(Cc1ccccc1SC)N1CCCC1c1[NH]cnc1; CSc1c cccc1CC(=O)N2CCCC2c3cnc[nH]3; CSc1ccccc1 CC(=O)N2CCC[CH]2c3[nH]cnc3 |
1-[(2R)-2-(1H-imidazol-5-yl)pyrrolidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one |
| 13596 |  A1B27 |
1 | C12 H20 N2 O2 S | InChI=1S/C12H20N2O2S/c1-1 7-7-9-5-10(9)12(16)14-4-2 -3-8(6-14)11(13)15/h8-10H ,2-7H2,1H3,(H2,13,15)/t8- ,9+,10+/m0/s1; JJJYSLKCPGSMLG-IVZWLZJFSA-N |
CSC[C@@H]1C[C@@H]1C(=O)N2CCC[C@@H](C2)C( =O)N; O=C(C1CC1CSC)N1CCCC(C1)C(N)=O; CSC C1CC1C(=O)N2CCCC(C2)C(=O)N; CSC[CH]1C[CH ]1C(=O)N2CCC[CH](C2)C(N)=O; CSC[C@@H]1C[ C@@H]1C(=O)N2CCC[C@@H](C2)C(N)=O |
(3S)-1-{(1R,2S)-2-[(methylsulfanyl)methyl]cyclopropane-1-carbonyl}piperidine-3-carboxamide |
| 13597 |  A1B28 |
1 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-2 1-13-5-3-2-4-10(13)8-14(1 9)18-7-6-11-12(9-18)15(11 )16(17)20/h2-5,11-12,15H, 6-9H2,1H3,(H2,17,20)/t11- ,12+,15+/m1/s1; UZZFRRNYJXSFIQ-XUJVJEKNSA-N |
CSc1ccccc1CC(=O)N2CCC3C(C2)C3C(=O)N; CSc 1ccccc1CC(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C (N)=O; O=C(Cc1ccccc1SC)N1CCC2C(C2C1)C(N) =O; CSc1ccccc1CC(=O)N2CC[CH]3[CH](C2)[CH ]3C(N)=O; CSc1ccccc1CC(=O)N2CC[C@@H]3[C@ H](C2)[C@H]3C(=O)N |
(1S,6S,7S)-3-{[2-(methylsulfanyl)phenyl]acetyl}-3-azabicyclo[4.1.0]heptane-7-carboxamide |
| 13598 |  A1B29 |
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-WCQYABFASA-N |
c1ccc2c(c1)[C@@H](CCS2)C(=O)N3CCC[C@@H]( C3)C(=O)N; c1ccc2c(c1)C(CCS2)C(=O)N3CCCC (C3)C(=O)N; NC(=O)C1CCCN(C1)C(=O)C1CCSc2 ccccc21; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CC Sc3ccccc23; NC(=O)[C@H]1CCCN(C1)C(=O)[C@ @H]2CCSc3ccccc23 |
(3S)-1-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide |
| 13599 |  A1B2A |
2 | C16 H21 N3 O2 | InChI=1S/C16H21N3O2/c1-18 -13-7-3-2-5-11(13)9-14(18 )16(21)19-8-4-6-12(10-19) 15(17)20/h2-3,5,7,12,14H, 4,6,8-10H2,1H3,(H2,17,20) /t12-,14+/m0/s1; FQLFBKZMFUCKAK-GXTWGEPZSA-N |
CN1[CH](Cc2ccccc12)C(=O)N3CCC[CH](C3)C(N )=O; O=C(C1Cc2ccccc2N1C)N1CCCC(C1)C(N)=O ; CN1c2ccccc2CC1C(=O)N3CCCC(C3)C(=O)N; C N1c2ccccc2C[C@@H]1C(=O)N3CCC[C@@H](C3)C( =O)N; CN1[C@H](Cc2ccccc12)C(=O)N3CCC[C@@ H](C3)C(N)=O |
(3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| 13600 |  A1B2D |
1 | C15 H22 N4 O2 | InChI=1S/C15H22N4O2/c1-18 -9-12-11(5-2-6-13(12)17-1 8)15(21)19-7-3-4-10(8-19) 14(16)20/h9-11H,2-8H2,1H3 ,(H2,16,20)/t10-,11+/m0/s 1; BUOYLGKYMMYMLX-WDEREUQCSA-N |
Cn1cc2c(n1)CCCC2C(=O)N3CCCC(C3)C(=O)N; C n1cc2[CH](CCCc2n1)C(=O)N3CCC[CH](C3)C(N) =O; NC(=O)C1CCCN(C1)C(=O)C1CCCc2nn(C)cc1 2; Cn1cc2c(n1)CCC[C@@H]2C(=O)N3CCC[C@@H] (C3)C(=O)N; Cn1cc2[C@H](CCCc2n1)C(=O)N3C CC[C@@H](C3)C(N)=O |
(3S)-1-[(4R)-2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carbonyl]piperidine-3-carboxamide |