General Information of the Compound
| Compound ID |
CP0472560
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| Compound Name |
CHEMBL1818298
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| Formula |
C29H43N5O3
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| Molecular Weight |
509.695
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CN)CC2)CC1
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| InChI |
InChI=1S/C29H43N5O3/c1-29(2,3)37-28(36)32-19-22-10-8-21(9-11-22)18-31-27(35)24-16-26(33-25-7-5-4-6-23(24)25)34-14-12-20(17-30)13-15-34/h4-7,16,20-22H,8-15,17-19,30H2,1-3H3,(H,31,35)(H,32,36)/t21-,22-
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| InChIKey |
AUTGANXZIPRUQL-HZCBDIJESA-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