General Information of the Compound
| Compound ID |
CP0438416
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| Compound Name |
methyl 3-[[3,3-diphenylpropyl-[3-(4-methylpiperazin-1-yl)propyl]carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C32H40N4O3
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| Molecular Weight |
528.697
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCCN2CCN(C)CC2)CCC(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C32H40N4O3/c1-34-21-23-35(24-22-34)18-10-19-36(32(38)33-29-16-9-15-28(25-29)31(37)39-2)20-17-30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,25,30H,10,17-24H2,1-2H3,(H,33,38)
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| InChIKey |
RSTABTCGQHAJLQ-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