General Information of the Compound
| Compound ID |
CP0441186
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| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-4-(4-methoxyphenyl)-4-oxobutanamide
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| Structure |
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| Formula |
C32H35N3O5
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| Molecular Weight |
541.648
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CCC(=O)NC(CN(Cc1ccccc1OC)C(C)=O)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C32H35N3O5/c1-22(36)35(20-24-8-4-7-11-31(24)40-3)21-26(18-25-19-33-29-10-6-5-9-28(25)29)34-32(38)17-16-30(37)23-12-14-27(39-2)15-13-23/h4-15,19,26,33H,16-18,20-21H2,1-3H3,(H,34,38)
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| InChIKey |
PYYQGLOWYDYWDJ-UHFFFAOYSA-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