General Information of the Compound
| Compound ID |
CP0882982
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| Compound Name |
(R,S)-N-((R)-1-(5-((1H-indol-3-yl)methyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperazine-2-carboxamide
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| Structure |
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| Formula |
C35H40N8O2
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| Molecular Weight |
604.759
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C35H40N8O2/c1-45-26-13-10-23(11-14-26)22-43-33(15-12-24-19-38-29-8-4-2-6-27(24)29)41-42-34(43)31(40-35(44)32-21-36-16-17-37-32)18-25-20-39-30-9-5-3-7-28(25)30/h2-11,13-14,19-20,31-33,36-39,41H,12,15-18,21-22H2,1H3,(H,40,44)/t31-,32?,33?/m1/s1
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| InChIKey |
CNUADMYJUBUQPY-PRVZDSGASA-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