General Information of the Compound
| Compound ID |
CP0445029
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| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-cyanophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C29H36ClN5O2
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| Molecular Weight |
522.093
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCN(CC1)c1ccc(cc1)C#N)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C29H36ClN5O2/c1-22-4-7-27(20-28(22)30)35(29(37)25-10-14-33(15-11-25)23(2)36)13-3-12-32-16-18-34(19-17-32)26-8-5-24(21-31)6-9-26/h4-9,20,25H,3,10-19H2,1-2H3
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| InChIKey |
HEOXWLCNPNPOPJ-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