General Information of the Compound
| Compound ID |
CP0165399
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| Compound Name |
8-[4-[2-(4,7-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
Cc1ccc(C)c2c1CCC21CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
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| InChI |
InChI=1S/C27H30N6O/c1-18-3-4-19(2)23-21(18)5-8-27(23)9-13-32(14-10-27)12-7-20-15-31-33(16-20)25-24-22(6-11-28-25)26(34)30-17-29-24/h3-4,6,11,15-17H,5,7-10,12-14H2,1-2H3,(H,29,30,34)
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| InChIKey |
YAWHCFISAFZXHF-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