General Information of the Compound
| Compound ID |
CP0140224
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| Compound Name |
US8536198, 41
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| Structure |
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| Formula |
C22H31ClN2O4
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| Molecular Weight |
422.953
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| Canonical SMILES |
COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C22H31ClN2O4/c1-21(2)14-25(13-12-22(21,28)15-8-10-16(23)11-9-15)19(26)17-6-4-5-7-18(17)24-20(27)29-3/h8-11,17-18,28H,4-7,12-14H2,1-3H3,(H,24,27)/t17-,18+,22-/m0/s1
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| InChIKey |
VCQZWKULQGJYDC-SVMVAKDDSA-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