General Information of the Compound
| Compound ID |
CP0474087
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| Compound Name |
3-[N-[(4-fluorophenyl)methyl]-3-phenylanilino]-1-(4-phenylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C32H32FN3O
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| Molecular Weight |
493.626
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| Canonical SMILES |
Fc1ccc(CN(CCC(=O)N2CCN(CC2)c2ccccc2)c2cccc(c2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C32H32FN3O/c33-29-16-14-26(15-17-29)25-36(31-13-7-10-28(24-31)27-8-3-1-4-9-27)19-18-32(37)35-22-20-34(21-23-35)30-11-5-2-6-12-30/h1-17,24H,18-23,25H2
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| InChIKey |
BPXJXJFRBLPEBI-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