General Information of the Compound
| Compound ID |
CP0537621
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| Compound Name |
(4S)-4-(2H-indazol-3-ylmethyl)-6-[2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-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 |
C34H35N7O3
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| Molecular Weight |
589.7
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| Canonical SMILES |
COCCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C34H35N7O3/c1-44-20-18-24-13-9-10-19-39(24)31(42)22-40-29-16-7-8-17-30(29)41-32(23-11-3-2-4-12-23)37-38-33(41)26(34(40)43)21-28-25-14-5-6-15-27(25)35-36-28/h2-8,11-12,14-17,24,26H,9-10,13,18-22H2,1H3,(H,35,36)/t24?,26-/m0/s1
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| InChIKey |
WQSSRJFWNHCCOZ-JKGBFCRXSA-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