General Information of the Compound
| Compound ID |
CP0538832
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| Compound Name |
N-[1-[6-[4-(butylaminomethyl)phenyl]pyridin-2-yl]ethyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C30H39N3O3S
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| Molecular Weight |
521.727
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1cccc(n1)C(C)N(C1CCCC1)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H39N3O3S/c1-4-5-21-31-22-24-13-15-25(16-14-24)30-12-8-11-29(32-30)23(2)33(26-9-6-7-10-26)37(34,35)28-19-17-27(36-3)18-20-28/h8,11-20,23,26,31H,4-7,9-10,21-22H2,1-3H3
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| InChIKey |
SIPOPCCIDZIEBA-UHFFFAOYSA-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