General Information of the Compound
| Compound ID |
CP0035634
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| Compound Name |
2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-[5-(3-morpholin-4-yl-propane-1-sulfonyl)-adamantan-2-yl]-propionamide
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| Formula |
C27H38ClFN2O5S
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| Molecular Weight |
557.128
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| Canonical SMILES |
CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(=O)(=O)CCCN1CCOCC1
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| InChI |
InChI=1S/C27H38ClFN2O5S/c1-26(2,36-23-5-4-21(29)14-22(23)28)25(32)30-24-19-12-18-13-20(24)17-27(15-18,16-19)37(33,34)11-3-6-31-7-9-35-10-8-31/h4-5,14,18-20,24H,3,6-13,15-17H2,1-2H3,(H,30,32)/t18?,19?,20?,24-,27-
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| InChIKey |
HVKZAAMCWANHEW-GIHQTTFSSA-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