General Information of the Compound
| Compound ID |
CP0524990
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| Compound Name |
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C31H31N5O2
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| Molecular Weight |
505.622
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ccccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38)
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| InChIKey |
KTPUQSUFFOWMFC-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