General Information of the Compound
| Compound ID |
CP0885411
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-propanamide
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| Formula |
C39H40N6O4
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| Molecular Weight |
656.787
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C39H40N6O4/c1-49-32-19-13-29(14-20-32)26-45-36(21-15-27-7-3-2-4-8-27)43-44-39(45)35(23-30-24-40-34-10-6-5-9-33(30)34)42-38(48)25-41-37(47)22-16-28-11-17-31(46)18-12-28/h2-14,17-20,24,35,40,46H,15-16,21-23,25-26H2,1H3,(H,41,47)(H,42,48)/t35-/m1/s1
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| InChIKey |
SQZPIPRGLQWIBA-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