General Information of the Compound
| Compound ID |
CP0848371
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| Compound Name |
4-Benzhydryl-1-(3,3-diphenylpropionyl)-piperazine-2-carboxylic acid
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| Structure |
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| Formula |
C33H32N2O3
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| Molecular Weight |
504.63
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| Canonical SMILES |
O=C(O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H32N2O3/c36-31(23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-22-21-34(24-30(35)33(37)38)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30,32H,21-24H2,(H,37,38)
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| InChIKey |
ADXUUSOTCRBZGI-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