General Information of the Compound
| Compound ID |
CP0452480
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| Compound Name |
CHEMBL1818195
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| Formula |
C26H33N5O3
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| Molecular Weight |
463.582
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1
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| InChI |
InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t17-,18-
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| InChIKey |
YVGUSZYHTVQINQ-IYARVYRRSA-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