General Information of the Compound
| Compound ID |
CP0426161
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| Compound Name |
CHEMBL1818301
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| Formula |
C30H45N5O3
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| Molecular Weight |
523.722
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| Canonical SMILES |
CCOC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN(C)C)CC2)CC1
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| InChI |
InChI=1S/C30H45N5O3/c1-4-38-30(37)32-21-24-11-9-23(10-12-24)20-31-29(36)26-19-28(33-27-8-6-5-7-25(26)27)35-17-14-22(15-18-35)13-16-34(2)3/h5-8,19,22-24H,4,9-18,20-21H2,1-3H3,(H,31,36)(H,32,37)/t23-,24-
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| InChIKey |
YCLHKSOYACOXBL-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