General Information of the Compound
| Compound ID |
CP0350674
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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-(methylamino)pyridin-4-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H27ClN8O2
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| Molecular Weight |
458.954
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| Canonical SMILES |
CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl
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| InChI |
InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1
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| InChIKey |
FUKFQTMBAFQLBS-MEDUHNTESA-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