General Information of the Compound
| Compound ID |
CP0917283
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| Compound Name |
N-[1-(4-Chlorophenyl)-3-(1-piperidinyl)-propyl]-4-phenylbenzamide oxalate
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| Structure |
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| Formula |
C29H31ClN2O5
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| Molecular Weight |
523.029
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| Canonical SMILES |
O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C27H29ClN2O.C2H2O4/c28-25-15-13-23(14-16-25)26(17-20-30-18-5-2-6-19-30)29-27(31)24-11-9-22(10-12-24)21-7-3-1-4-8-21;3-1(4)2(5)6/h1,3-4,7-16,26H,2,5-6,17-20H2,(H,29,31);(H,3,4)(H,5,6)
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| InChIKey |
RINPJDQMKHSHEV-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