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FURNA

PDB CCD ID: MVM
Number of entries in FURNA: 8
Chemical formula: C22 H20 Cl N7 O
InChI: InChI=1S/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2/t17-/m1/s1
InChIKey: FDTXHWQFIXYHCL-QGZVFWFLSA-N
SMILES: Clc1cccnc1N([CH]2CCCNC2)C(=O)c3ccc(cc3)n4nnc5cccnc45;
Clc1cccnc1N([C@@H]2CCCNC2)C(=O)c3ccc(cc3)n4nnc5cccnc45;
c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)C5CCCNC5;
c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5;
C1CC(CNC1)N(c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)=O
Name:N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
ChEMBL: CHEMBL4109308
Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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