General Information of the Compound
| Compound ID |
CP0504456
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| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C30H40ClFN4O2
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| Molecular Weight |
543.127
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCCN(C1)C(C)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C30H40ClFN4O2/c1-22-7-12-28(18-29(22)31)36(30(38)26-6-4-13-35(21-26)24(3)37)15-5-14-34-17-16-33(19-23(34)2)20-25-8-10-27(32)11-9-25/h7-12,18,23,26H,4-6,13-17,19-21H2,1-3H3
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| InChIKey |
MSZZGUPVRPUTFU-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