General Information of the Compound
| Compound ID |
CP0901823
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| Compound Name |
1-{4-[(3,5-Bis-trifluoromethyl-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one hydrochloride
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| Structure |
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| Formula |
C34H31ClF6N2O
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| Molecular Weight |
633.076
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| Canonical SMILES |
Cl.O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C34H30F6N2O.ClH/c35-33(36,37)28-20-27(21-29(22-28)34(38,39)40)32(26-14-8-3-9-15-26)42-18-16-41(17-19-42)31(43)23-30(24-10-4-1-5-11-24)25-12-6-2-7-13-25;/h1-15,20-22,30,32H,16-19,23H2;1H
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| InChIKey |
OATJNEXWWJZFFX-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