General Information of the Compound
| Compound ID |
CP0517165
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| Compound Name |
N-[[5-[4-(butylaminomethyl)phenyl]-2-fluorophenyl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C30H37FN2O3S
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| Molecular Weight |
524.702
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1ccc(F)c(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C30H37FN2O3S/c1-3-4-19-32-21-23-9-11-24(12-10-23)25-13-18-30(31)26(20-25)22-33(27-7-5-6-8-27)37(34,35)29-16-14-28(36-2)15-17-29/h9-18,20,27,32H,3-8,19,21-22H2,1-2H3
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| InChIKey |
LXQJRVOUTZFLSN-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