General Information of the Compound
| Compound ID |
CP0497517
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| Compound Name |
3-chloro-N-[(1S,3S)-3-[[4-(dimethylamino)benzoyl]amino]cyclohexyl]benzamide
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H26ClN3O2/c1-26(2)20-11-9-15(10-12-20)21(27)24-18-7-4-8-19(14-18)25-22(28)16-5-3-6-17(23)13-16/h3,5-6,9-13,18-19H,4,7-8,14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19-/m0/s1
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| InChIKey |
RSKKUEYUIMNSNS-OALUTQOASA-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