General Information of the Compound
| Compound ID |
CP0460202
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| Compound Name |
CHEMBL1818192
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| Formula |
C23H30ClN3O3
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| Molecular Weight |
431.964
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)CC1
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| InChI |
InChI=1S/C23H30ClN3O3/c1-23(2,3)30-22(29)26-14-16-10-8-15(9-11-16)13-25-21(28)18-12-20(24)27-19-7-5-4-6-17(18)19/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,28)(H,26,29)/t15-,16-
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| InChIKey |
XISDCSOLCBODPO-WKILWMFISA-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2