General Information of the Compound
| Compound ID |
CP0425157
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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]-5-pyrrolidin-1-ylpyridine-2-carboxamide
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| Structure |
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| Formula |
C38H39N7O2
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| Molecular Weight |
625.777
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cn2)N2CCCC2)cc1
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| InChI |
InChI=1S/C38H39N7O2/c1-47-31-17-13-28(14-18-31)26-45-36(20-15-27-9-3-2-4-10-27)42-43-37(45)35(23-29-24-39-33-12-6-5-11-32(29)33)41-38(46)34-19-16-30(25-40-34)44-21-7-8-22-44/h2-6,9-14,16-19,24-25,35,39H,7-8,15,20-23,26H2,1H3,(H,41,46)/t35-/m1/s1
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| InChIKey |
KDWUDVWMRACPQG-PGUFJCEWSA-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