General Information of the Compound
| Compound ID |
CP0444742
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| Compound Name |
8-[4-[2-[4-(3-tert-butylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H32N6O
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| Molecular Weight |
456.594
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| Canonical SMILES |
CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
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| InChI |
InChI=1S/C27H32N6O/c1-27(2,3)22-6-4-5-21(15-22)20-9-13-32(14-10-20)12-8-19-16-31-33(17-19)25-24-23(7-11-28-25)26(34)30-18-29-24/h4-7,11,15-18,20H,8-10,12-14H2,1-3H3,(H,29,30,34)
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| InChIKey |
RIVJXVMWOIAAEH-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