General Information of the Compound
| Compound ID |
CP0396623
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| Compound Name |
3-fluoro-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 |
C24H22FN5O2
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| Molecular Weight |
431.471
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| Canonical SMILES |
Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C(=O)C2)c2ccc(cc2F)C#N)CC1
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| InChI |
InChI=1S/C24H22FN5O2/c1-15-8-17(10-18-13-27-28-22(15)18)23(32)29-6-4-24(5-7-29)11-21(31)30(14-24)20-3-2-16(12-26)9-19(20)25/h2-3,8-10,13H,4-7,11,14H2,1H3,(H,27,28)
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| InChIKey |
LXKPLRSSCBCYMA-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