General Information of the Compound
| Compound ID |
CP0897953
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| Compound Name |
N-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}-2-methylpropyl)phenyl]N-cyclohexylsulfamide; 2HCl
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| Structure |
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| Formula |
C23H36Cl2N4O3S
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| Molecular Weight |
519.539
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| Canonical SMILES |
CC(C)(Cc1ccc(NS(=O)(=O)NC2CCCCC2)cc1)NC[C@H](O)c1cccnc1.Cl.Cl
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| InChI |
InChI=1S/C23H34N4O3S.2ClH/c1-23(2,25-17-22(28)19-7-6-14-24-16-19)15-18-10-12-21(13-11-18)27-31(29,30)26-20-8-4-3-5-9-20;;/h6-7,10-14,16,20,22,25-28H,3-5,8-9,15,17H2,1-2H3;2*1H/t22-;;/m0../s1
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| InChIKey |
XZFHEJGJEBCEQW-IKXQUJFKSA-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