General Information of the Compound
| Compound ID |
CP0579273
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| Compound Name |
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C19H29ClN4O4S
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| Molecular Weight |
444.985
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)N1CCCN(CC1)S(=O)(=O)N1CCC(C)CC1
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| InChI |
InChI=1S/C19H29ClN4O4S/c1-15-6-10-24(11-7-15)29(26,27)23-9-3-8-22(12-13-23)19(25)21-17-14-16(20)4-5-18(17)28-2/h4-5,14-15H,3,6-13H2,1-2H3,(H,21,25)
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| InChIKey |
LXPRAYGMSYYEJC-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