General Information of the Compound
| Compound ID |
CP0539234
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| Compound Name |
2-methyl-4-[8-(7-methyl-1H-indazole-5-carbonyl)-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
Cc1cc(ccc1C#N)N1CC2(CC1=O)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C25H25N5O2/c1-16-10-21(4-3-18(16)13-26)30-15-25(12-22(30)31)5-7-29(8-6-25)24(32)19-9-17(2)23-20(11-19)14-27-28-23/h3-4,9-11,14H,5-8,12,15H2,1-2H3,(H,27,28)
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| InChIKey |
QNZWIXSOJXWZLN-UHFFFAOYSA-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