General Information of the Compound
| Compound ID |
CP0459717
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| Compound Name |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclobutylamino)pyridin-4-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H31ClN8O2
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| Molecular Weight |
499.019
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/m0/s1
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| InChIKey |
JMFFJZHRARAACU-ORAYPTAESA-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