General Information of the Compound
| Compound ID |
CP0143090
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| Compound Name |
CHEMBL1818294
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| Formula |
C31H48N6O3
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| Molecular Weight |
552.764
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1
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| InChI |
InChI=1S/C31H48N6O3/c1-31(2,3)40-30(39)33-22-24-12-10-23(11-13-24)21-32-29(38)26-20-28(34-27-9-7-6-8-25(26)27)37-18-16-36(17-19-37)15-14-35(4)5/h6-9,20,23-24H,10-19,21-22H2,1-5H3,(H,32,38)(H,33,39)/t23-,24-
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| InChIKey |
HHBNPIUEFHEVKO-RQNOJGIXSA-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