General Information of the Compound
| Compound ID |
CP0535008
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| Compound Name |
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-4'-hydroxyspiro[2H-indole-3,1'-cyclohexane]-5-yl]pyridine-3-carboxamide
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| Formula |
C28H28FN3O4S
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| Molecular Weight |
521.614
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| Canonical SMILES |
OC1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28FN3O4S/c29-20-5-8-23(9-6-20)37(35,36)32-25-10-7-21(31-27(34)19-2-1-15-30-17-19)16-24(25)28(26(32)18-3-4-18)13-11-22(33)12-14-28/h1-2,5-10,15-18,22,26,33H,3-4,11-14H2,(H,31,34)
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| InChIKey |
UNYHWSHRLTXSMI-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