General Information of the Compound
| Compound ID |
CP0432117
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| Compound Name |
4-(1H-indol-3-ylmethyl)-6-[2-oxo-2-(2-propan-2-ylpiperidin-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 |
C35H36N6O2
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| Molecular Weight |
572.713
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| Canonical SMILES |
CC(C)C1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C35H36N6O2/c1-23(2)29-16-10-11-19-39(29)32(42)22-40-30-17-8-9-18-31(30)41-33(24-12-4-3-5-13-24)37-38-34(41)27(35(40)43)20-25-21-36-28-15-7-6-14-26(25)28/h3-9,12-15,17-18,21,23,27,29,36H,10-11,16,19-20,22H2,1-2H3
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| InChIKey |
GOGUYEFIGCXTHW-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