General Information of the Compound
| Compound ID |
CP0509833
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| Compound Name |
3-[4-bromo-N-[(4-fluorophenyl)methyl]-3-methylanilino]-1-(4-phenylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C27H29BrFN3O
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| Molecular Weight |
510.451
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| Canonical SMILES |
Cc1cc(ccc1Br)N(CCC(=O)N1CCN(CC1)c1ccccc1)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H29BrFN3O/c1-21-19-25(11-12-26(21)28)32(20-22-7-9-23(29)10-8-22)14-13-27(33)31-17-15-30(16-18-31)24-5-3-2-4-6-24/h2-12,19H,13-18,20H2,1H3
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| InChIKey |
PUAHEKTYZVXOSU-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