General Information of the Compound
| Compound ID |
CP0431232
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| Compound Name |
CHEMBL1818302
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| Formula |
C33H49N5O4
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| Molecular Weight |
579.786
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| Canonical SMILES |
CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1
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| InChI |
InChI=1S/C33H49N5O4/c1-37(2)16-11-24-12-17-38(18-13-24)31-21-29(28-5-3-4-6-30(28)36-31)32(39)34-22-25-7-9-26(10-8-25)23-35-33(40)42-27-14-19-41-20-15-27/h3-6,21,24-27H,7-20,22-23H2,1-2H3,(H,34,39)(H,35,40)/t25-,26-
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| InChIKey |
CMBXCQWAQLETTR-DIVCQZSQSA-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