General Information of the Compound
| Compound ID |
CP0436350
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| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-4-(4-fluorophenyl)-4-oxobutanamide
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| Structure |
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| Formula |
C31H32FN3O4
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| Molecular Weight |
529.612
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(F)cc1)C(C)=O
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| InChI |
InChI=1S/C31H32FN3O4/c1-21(36)35(19-23-7-3-6-10-30(23)39-2)20-26(17-24-18-33-28-9-5-4-8-27(24)28)34-31(38)16-15-29(37)22-11-13-25(32)14-12-22/h3-14,18,26,33H,15-17,19-20H2,1-2H3,(H,34,38)
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| InChIKey |
CUUQZADGWXMGRW-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