General Information of the Compound
| Compound ID |
CP0386294
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| Compound Name |
6-chloro-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C34H31ClN6O2
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| Molecular Weight |
591.115
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C34H31ClN6O2/c1-43-27-15-11-24(12-16-27)22-41-32(18-13-23-7-3-2-4-8-23)39-40-33(41)30(38-34(42)25-14-17-31(35)37-20-25)19-26-21-36-29-10-6-5-9-28(26)29/h2-12,14-17,20-21,30,36H,13,18-19,22H2,1H3,(H,38,42)/t30-/m1/s1
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| InChIKey |
LRGQQQITIJMVGU-SSEXGKCCSA-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