General Information of the Compound
| Compound ID |
CP0430660
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| Compound Name |
1-benzhydryl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C27H31N3O4S
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| Molecular Weight |
493.629
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| Canonical SMILES |
O=C(NC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C27H31N3O4S/c31-27(28-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23)29-35(32,33)25-16-14-24(15-17-25)34-21-9-20-30-18-7-8-19-30/h1-6,10-17,26H,7-9,18-21H2,(H2,28,29,31)
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| InChIKey |
FWZHQUWTVHMVLB-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