General Information of the Compound
| Compound ID |
CP0072885
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| Compound Name |
N-[(2S)-4-[4-(6-propan-2-yloxypyridin-3-yl)oxyphenyl]butan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
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| InChI |
InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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| InChIKey |
ZKLUUIYEAKAKIE-INIZCTEOSA-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: PT04130, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2