General Information of the Compound
| Compound ID |
CP0874283
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| Compound Name |
(E)-4-(1-((3-Fluoro-N,4-dimethylphenyl)sulfonamido)-cyclopropane-1-carboxamido)adamantane-1-carboxylic acid
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| Formula |
C23H29FN2O5S
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| Molecular Weight |
464.559
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C2(C(=O)N[C@H]3C4CC5CC3C[C@](C(=O)O)(C5)C4)CC2)cc1F
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| InChI |
InChI=1S/C23H29FN2O5S/c1-13-3-4-17(9-18(13)24)32(30,31)26(2)23(5-6-23)20(27)25-19-15-7-14-8-16(19)12-22(10-14,11-15)21(28)29/h3-4,9,14-16,19H,5-8,10-12H2,1-2H3,(H,25,27)(H,28,29)/t14?,15?,16?,19-,22-
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| InChIKey |
AFVVZSOHFRSNTE-IDNYSXLCSA-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