General Information of the Compound
| Compound ID |
CP0440315
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| Compound Name |
N-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]piperidine-1-sulfonamide
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| Structure |
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| Formula |
C21H28ClN3O3S
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| Molecular Weight |
437.993
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H28ClN3O3S/c22-19-6-4-5-18(15-19)21(26)16-23-12-11-17-7-9-20(10-8-17)24-29(27,28)25-13-2-1-3-14-25/h4-10,15,21,23-24,26H,1-3,11-14,16H2/t21-/m0/s1
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| InChIKey |
HTPNCGQJAGDAHC-NRFANRHFSA-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