General Information of the Compound
| Compound ID |
CP0387047
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| Compound Name |
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]benzamide
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| Structure |
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| Formula |
C29H32ClF2N3O
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| Molecular Weight |
512.044
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)c1ccc(F)cc1)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C29H32ClF2N3O/c1-21-4-13-27(18-28(21)30)35(29(36)24-7-11-26(32)12-8-24)15-3-14-34-17-16-33(19-22(34)2)20-23-5-9-25(31)10-6-23/h4-13,18,22H,3,14-17,19-20H2,1-2H3
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| InChIKey |
XTAWWFMNDKGXAZ-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