General Information of the Compound
| Compound ID |
CP0388314
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| Compound Name |
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C38H34N6O2
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| Molecular Weight |
606.73
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1
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| InChI |
InChI=1S/C38H34N6O2/c1-46-31-18-15-27(16-19-31)25-44-36(20-17-26-9-3-2-4-10-26)42-43-37(44)34(22-30-24-39-33-14-8-7-13-32(30)33)41-38(45)35-21-28-11-5-6-12-29(28)23-40-35/h2-16,18-19,21,23-24,34,39H,17,20,22,25H2,1H3,(H,41,45)/t34-/m1/s1
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| InChIKey |
KBXWOBGGKRASMV-UUWRZZSWSA-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