General Information of the Compound
| Compound ID |
CP0426995
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| Compound Name |
(2S)-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C35H37N7O
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| Molecular Weight |
571.729
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| Canonical SMILES |
CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1
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| InChI |
InChI=1S/C35H37N7O/c1-2-23-13-16-26(17-14-23)42-33(18-15-24-21-37-29-10-5-3-8-27(24)29)40-41-34(42)32(39-35(43)31-12-7-19-36-31)20-25-22-38-30-11-6-4-9-28(25)30/h3-6,8-11,13-14,16-17,21-22,31-32,36-38H,2,7,12,15,18-20H2,1H3,(H,39,43)/t31-,32+/m0/s1
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| InChIKey |
KXINUWXQXWZNNY-AJQTZOPKSA-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