General Information of the Compound
| Compound ID |
CP0551374
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| Compound Name |
US8633226, 850
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| Structure |
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| Formula |
C22H34ClN3O3
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| Molecular Weight |
423.985
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| Canonical SMILES |
CC(C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C22H34ClN3O3/c1-14(2)18(25-20(28)24-15(3)4)19(27)26-12-11-22(29,21(5,6)13-26)16-7-9-17(23)10-8-16/h7-10,14-15,18,29H,11-13H2,1-6H3,(H2,24,25,28)/t18-,22+/m1/s1
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| InChIKey |
NFMFQNYGATXKRO-GCJKJVERSA-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