General Information of the Compound
| Compound ID |
CP0859581
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| Compound Name |
Methyl (E)-4-(1-((3-fluoro-N,4-dimethylphenyl)-sulfonamido)cyclopropane-1-carboxamido)adamantane-1-carboxylate
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| Formula |
C24H31FN2O5S
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| Molecular Weight |
478.586
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| Canonical SMILES |
COC(=O)[C@]12CC3CC(C1)[C@@H](NC(=O)C1(N(C)S(=O)(=O)c4ccc(C)c(F)c4)CC1)C(C3)C2
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| InChI |
InChI=1S/C24H31FN2O5S/c1-14-4-5-18(10-19(14)25)33(30,31)27(2)24(6-7-24)21(28)26-20-16-8-15-9-17(20)13-23(11-15,12-16)22(29)32-3/h4-5,10,15-17,20H,6-9,11-13H2,1-3H3,(H,26,28)/t15?,16?,17?,20-,23-
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| InChIKey |
PBVYPTUFKHQMJU-KOVCZQLCSA-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