General Information of the Compound
| Compound ID |
CP0324165
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| Compound Name |
US8536198, 86
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| Structure |
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| Formula |
C25H35ClN2O3
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| Molecular Weight |
447.019
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)C1CCCC1
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| InChI |
InChI=1S/C25H35ClN2O3/c1-24(2)16-28(15-14-25(24,31)18-10-12-19(26)13-11-18)23(30)20-8-5-9-21(20)27-22(29)17-6-3-4-7-17/h10-13,17,20-21,31H,3-9,14-16H2,1-2H3,(H,27,29)/t20-,21+,25-/m0/s1
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| InChIKey |
KAZFMAYRFFYJPO-BKSPAHHJSA-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