General Information of the Compound
| Compound ID |
CP0517274
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| Compound Name |
N-benzyl-2-[(4S)-4-(2H-indazol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C36H33N7O2
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| Molecular Weight |
595.707
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C36H33N7O2/c1-24(2)41(22-25-13-5-3-6-14-25)33(44)23-42-31-19-11-12-20-32(31)43-34(26-15-7-4-8-16-26)39-40-35(43)28(36(42)45)21-30-27-17-9-10-18-29(27)37-38-30/h3-20,24,28H,21-23H2,1-2H3,(H,37,38)/t28-/m0/s1
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| InChIKey |
NQJDEFGZTFBIOH-NDEPHWFRSA-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