General Information of the Compound
| Compound ID |
CP0112294
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| Compound Name |
2-(2-chloro-4-fluoro-phenoxy)-N-(5-ethanesulfonyl-adamantan-2-yl)-2-methyl-propionamide
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| Formula |
C22H29ClFNO4S
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| Molecular Weight |
457.995
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| Canonical SMILES |
CCS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1Cl)C(C3)C2
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| InChI |
InChI=1S/C22H29ClFNO4S/c1-4-30(27,28)22-10-13-7-14(11-22)19(15(8-13)12-22)25-20(26)21(2,3)29-18-6-5-16(24)9-17(18)23/h5-6,9,13-15,19H,4,7-8,10-12H2,1-3H3,(H,25,26)/t13?,14?,15?,19-,22-
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| InChIKey |
BPIBIOIIJZPFME-TXBRZDKCSA-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