General Information of the Compound
| Compound ID |
CP0501695
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| Compound Name |
CHEMBL1818293
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| Formula |
C30H42N6O3
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| Molecular Weight |
534.705
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1
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| InChI |
InChI=1S/C30H42N6O3/c1-30(2,3)39-29(38)32-18-22-12-10-21(11-13-22)17-31-28(37)25-16-27(34-26-9-7-6-8-24(25)26)23-19-33-36(20-23)15-14-35(4)5/h6-9,16,19-22H,10-15,17-18H2,1-5H3,(H,31,37)(H,32,38)/t21-,22-
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| InChIKey |
SKIHUZUVQLWOAO-HZCBDIJESA-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