General Information of the Compound
| Compound ID |
CP0474584
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| Compound Name |
4-(1H-indol-3-ylmethyl)-6-[2-oxo-2-[2-(pyridin-4-ylmethyl)piperidin-1-yl]ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one
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| Structure |
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| Formula |
C38H35N7O2
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| Molecular Weight |
621.745
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| Canonical SMILES |
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccncc1
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| InChI |
InChI=1S/C38H35N7O2/c46-35(43-21-9-8-12-29(43)22-26-17-19-39-20-18-26)25-44-33-15-6-7-16-34(33)45-36(27-10-2-1-3-11-27)41-42-37(45)31(38(44)47)23-28-24-40-32-14-5-4-13-30(28)32/h1-7,10-11,13-20,24,29,31,40H,8-9,12,21-23,25H2
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| InChIKey |
WVSOYXIIIWSZHL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound