General Information of the Compound
| Compound ID |
CP0498558
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| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]piperidine-4-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 |
C[C@H]1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C30H40ClFN4O2/c1-22-5-10-28(19-29(22)31)36(30(38)26-11-15-35(16-12-26)24(3)37)14-4-13-34-18-17-33(20-23(34)2)21-25-6-8-27(32)9-7-25/h5-10,19,23,26H,4,11-18,20-21H2,1-3H3/t23-/m0/s1
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| InChIKey |
ISEQOZLGRBFKIV-QHCPKHFHSA-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