General Information of the Compound
| Compound ID |
CP0889558
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| Compound Name |
N'-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}ethyl)phenyl]-N-cyclohexylsulfamide; 2HCl
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| Structure |
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| Formula |
C21H32Cl2N4O3S
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| Molecular Weight |
491.485
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| Canonical SMILES |
Cl.Cl.O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)NC1CCCCC1
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| InChI |
InChI=1S/C21H30N4O3S.2ClH/c26-21(18-5-4-13-22-15-18)16-23-14-12-17-8-10-20(11-9-17)25-29(27,28)24-19-6-2-1-3-7-19;;/h4-5,8-11,13,15,19,21,23-26H,1-3,6-7,12,14,16H2;2*1H/t21-;;/m0../s1
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| InChIKey |
OJKWXGULFWJOHJ-FGJQBABTSA-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