General Information of the Compound
| Compound ID |
CP0389902
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| Compound Name |
CHEMBL1818290
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| Formula |
C27H39N5O3
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| Molecular Weight |
481.641
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCNCC2)CC1
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| InChI |
InChI=1S/C27H39N5O3/c1-27(2,3)35-26(34)30-18-20-10-8-19(9-11-20)17-29-25(33)22-16-24(32-14-12-28-13-15-32)31-23-7-5-4-6-21(22)23/h4-7,16,19-20,28H,8-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,20-
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| InChIKey |
PCWOOMUPJGWCSA-MXVIHJGJSA-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