General Information of the Compound
| Compound ID |
CP0508988
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| Compound Name |
3-[4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-1-(4-phenylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C27H26ClF4N3O
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| Molecular Weight |
519.97
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| Canonical SMILES |
Fc1ccc(CN(CCC(=O)N2CCN(CC2)c2ccccc2)c2ccc(Cl)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H26ClF4N3O/c28-25-11-10-23(18-24(25)27(30,31)32)35(19-20-6-8-21(29)9-7-20)13-12-26(36)34-16-14-33(15-17-34)22-4-2-1-3-5-22/h1-11,18H,12-17,19H2
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| InChIKey |
LQBKTFOBAJDOHF-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