General Information of the Compound
| Compound ID |
CP0499208
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| Compound Name |
methyl 4-[3-[3,3-diphenylpropyl-[(3-methoxycarbonylphenyl)carbamoyl]amino]propyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H40N4O5
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| Molecular Weight |
572.706
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| Canonical SMILES |
COC(=O)N1CCN(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)Nc2cccc(c2)C(=O)OC)CC1
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| InChI |
InChI=1S/C33H40N4O5/c1-41-31(38)28-15-9-16-29(25-28)34-32(39)36(19-10-18-35-21-23-37(24-22-35)33(40)42-2)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,34,39)
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| InChIKey |
KPVKTAUYOXYXGZ-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