General Information of the Compound
| Compound ID |
CP0567709
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| Compound Name |
2-(2-adamantyl)-8-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2,7-naphthyridin-1-one
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| Structure |
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| Formula |
C26H34N6O
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| Molecular Weight |
446.599
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| Canonical SMILES |
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3C4CC5CC(C4)CC3C5)C(=O)c12
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| InChI |
InChI=1S/C26H34N6O/c27-25-23-21(22(13-29-25)19-12-30-32(14-19)20-1-4-28-5-2-20)3-6-31(26(23)33)24-17-8-15-7-16(10-17)11-18(24)9-15/h12-18,20,24,28H,1-11H2,(H2,27,29)
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| InChIKey |
WSNLCMQIUFLQBS-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