General Information of the Compound
| Compound ID |
CP0918992
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| Compound Name |
N'-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}ethyl)phenyl]-N-methyl,N-cyclohexylsulfamide; 2HCl
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| Structure |
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| Formula |
C22H34Cl2N4O3S
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| Molecular Weight |
505.512
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| Canonical SMILES |
CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.Cl.Cl
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| InChI |
InChI=1S/C22H32N4O3S.2ClH/c1-26(21-7-3-2-4-8-21)30(28,29)25-20-11-9-18(10-12-20)13-15-24-17-22(27)19-6-5-14-23-16-19;;/h5-6,9-12,14,16,21-22,24-25,27H,2-4,7-8,13,15,17H2,1H3;2*1H/t22-;;/m0../s1
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| InChIKey |
VQQXPDAHCUVGAO-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