General Information of the Compound
| Compound ID |
CP0579051
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| Compound Name |
8-amino-2-cyclohexyl-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]-3,4-dihydro-2,7-naphthyridin-1-one
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
Nc1ncc(-c2cnn(CC3CCCNC3)c2)c2CCN(C3CCCCC3)C(=O)c12
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| InChI |
InChI=1S/C23H32N6O/c24-22-21-19(8-10-29(23(21)30)18-6-2-1-3-7-18)20(13-26-22)17-12-27-28(15-17)14-16-5-4-9-25-11-16/h12-13,15-16,18,25H,1-11,14H2,(H2,24,26)
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| InChIKey |
JDYMCSKANXEKMK-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