General Information of the Compound
| Compound ID |
CP0432521
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| Compound Name |
2-amino-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 |
C34H33N7O2
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| Molecular Weight |
571.685
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1
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| InChI |
InChI=1S/C34H33N7O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H2,35,36)(H,38,42)/t30-/m1/s1
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| InChIKey |
GHFUEMFRBNDQCW-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