General Information of the Compound
| Compound ID |
CP0456078
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| Compound Name |
CHEMBL1818189
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccnc(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H33N3O3/c1-25(2,3)31-24(30)28-17-19-11-9-18(10-12-19)16-27-23(29)21-13-14-26-22(15-21)20-7-5-4-6-8-20/h4-8,13-15,18-19H,9-12,16-17H2,1-3H3,(H,27,29)(H,28,30)/t18-,19-
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| InChIKey |
DWPNFFNLACEBPT-WGSAOQKQSA-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