General Information of the Compound
| Compound ID |
CP0897966
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| Compound Name |
N-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}-2-methylpropyl)phenyl]N-2-Methoxy-ethylaminesulfamide; 2HCl
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| Structure |
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| Formula |
C20H32Cl2N4O4S
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| Molecular Weight |
495.473
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| Canonical SMILES |
COCCNS(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1.Cl.Cl
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| InChI |
InChI=1S/C20H30N4O4S.2ClH/c1-20(2,22-15-19(25)17-5-4-10-21-14-17)13-16-6-8-18(9-7-16)24-29(26,27)23-11-12-28-3;;/h4-10,14,19,22-25H,11-13,15H2,1-3H3;2*1H/t19-;;/m0../s1
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| InChIKey |
MDDZSFACWZXOOC-TXEPZDRESA-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