General Information of the Compound
| Compound ID |
CP0495057
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| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-2-(2-pyridylsulfanyl)acetamide
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| Structure |
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| Formula |
C28H30N4O3S
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| Molecular Weight |
502.64
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CSc1ccccn1)C(C)=O
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| InChI |
InChI=1S/C28H30N4O3S/c1-20(33)32(17-21-9-3-6-12-26(21)35-2)18-23(15-22-16-30-25-11-5-4-10-24(22)25)31-27(34)19-36-28-13-7-8-14-29-28/h3-14,16,23,30H,15,17-19H2,1-2H3,(H,31,34)
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| InChIKey |
HUSFNZORCKCZQT-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