General Information of the Compound
| Compound ID |
CP0205181
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| Compound Name |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C20H25N7O2/c1-12-16(21)20(11-29-12)5-9-27(10-6-20)19-23-17-14(18(28)26(19)2)15(24-25-17)13-3-7-22-8-4-13/h3-4,7-8,12,16H,5-6,9-11,21H2,1-2H3,(H,24,25)/t12-,16+/m0/s1
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| InChIKey |
UJQCIAXBNGUOIB-BLLLJJGKSA-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