General Information of the Compound
| Compound ID |
CP0526171
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| Compound Name |
(4S)-4-(2H-indazol-3-ylmethyl)-6-[2-[2-[(3-methylphenyl)methyl]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 |
C39H37N7O2
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| Molecular Weight |
635.772
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| Canonical SMILES |
Cc1cccc(CC2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1
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| InChI |
InChI=1S/C39H37N7O2/c1-26-12-11-13-27(22-26)23-29-16-9-10-21-44(29)36(47)25-45-34-19-7-8-20-35(34)46-37(28-14-3-2-4-15-28)42-43-38(46)31(39(45)48)24-33-30-17-5-6-18-32(30)40-41-33/h2-8,11-15,17-20,22,29,31H,9-10,16,21,23-25H2,1H3,(H,40,41)/t29?,31-/m0/s1
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| InChIKey |
DXQILTBKODCQIQ-RDFOUATCSA-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