General Information of the Compound
| Compound ID |
CP0932600
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| Compound Name |
N-[4-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}-2-methylpropyl)phenyl]N,N-dimethylsulfamide; 2HCl
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| Structure |
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| Formula |
C19H30Cl2N4O3S
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| Molecular Weight |
465.447
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1.Cl.Cl
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| InChI |
InChI=1S/C19H28N4O3S.2ClH/c1-19(2,21-14-18(24)16-6-5-11-20-13-16)12-15-7-9-17(10-8-15)22-27(25,26)23(3)4;;/h5-11,13,18,21-22,24H,12,14H2,1-4H3;2*1H/t18-;;/m0../s1
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| InChIKey |
QMBXYCQDGKCPKD-NTEVMMBTSA-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