General Information of the Compound
| Compound ID |
CP0431231
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| Compound Name |
CHEMBL1818292
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| Formula |
C30H35N3O5
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| Molecular Weight |
517.626
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)C(O)=O)CC1
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| InChI |
InChI=1S/C30H35N3O5/c1-30(2,3)38-29(37)32-18-20-10-8-19(9-11-20)17-31-27(34)24-16-26(33-25-7-5-4-6-23(24)25)21-12-14-22(15-13-21)28(35)36/h4-7,12-16,19-20H,8-11,17-18H2,1-3H3,(H,31,34)(H,32,37)(H,35,36)/t19-,20-
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| InChIKey |
UZXVBCLIMNEOQS-MXVIHJGJSA-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