General Information of the Compound
| Compound ID |
CP0634379
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| Compound Name |
4-Benzhydryl-1-(3,3-diphenyl-propionyl)-piperazine-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C35H36N2O3
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| Molecular Weight |
532.684
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| Canonical SMILES |
CCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H36N2O3/c1-2-40-35(39)32-26-36(34(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-24-37(32)33(38)25-31(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,31-32,34H,2,23-26H2,1H3
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| InChIKey |
KKZWTCQQRNGVOY-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