General Information of the Compound
| Compound ID |
CP0523076
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| Compound Name |
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C28H35Cl2FN4O4S
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| Molecular Weight |
613.583
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C28H35Cl2FN4O4S/c1-40(38,39)34-17-9-21(10-18-34)28(37)35(24-7-8-25(29)26(30)19-24)14-2-13-33-15-11-23(12-16-33)32-27(36)20-3-5-22(31)6-4-20/h3-8,19,21,23H,2,9-18H2,1H3,(H,32,36)
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| InChIKey |
NTMGUIDGOILDRZ-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