General Information of the Compound
| Compound ID |
CP0919873
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| Compound Name |
N'-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}ethoxy)phenyl]-N,N-dimethylsulfamide; 2HCl
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| Structure |
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| Formula |
C17H26Cl2N4O4S
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| Molecular Weight |
453.392
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc(OCCNC[C@H](O)c2cccnc2)cc1.Cl.Cl
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| InChI |
InChI=1S/C17H24N4O4S.2ClH/c1-21(2)26(23,24)20-15-5-7-16(8-6-15)25-11-10-19-13-17(22)14-4-3-9-18-12-14;;/h3-9,12,17,19-20,22H,10-11,13H2,1-2H3;2*1H/t17-;;/m0../s1
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| InChIKey |
LBCOPDUNMLFFHN-RMRYJAPISA-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