General Information of the Compound
| Compound ID |
CP0400879
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| Compound Name |
3-[4-chloro-3-ethyl-N-[(4-fluorophenyl)methyl]anilino]-1-(4-phenylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C28H31ClFN3O
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| Molecular Weight |
480.027
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| Canonical SMILES |
CCc1cc(ccc1Cl)N(CCC(=O)N1CCN(CC1)c1ccccc1)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C28H31ClFN3O/c1-2-23-20-26(12-13-27(23)29)33(21-22-8-10-24(30)11-9-22)15-14-28(34)32-18-16-31(17-19-32)25-6-4-3-5-7-25/h3-13,20H,2,14-19,21H2,1H3
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| InChIKey |
UTQBECFUCRZFSZ-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