General Information of the Compound
| Compound ID |
CP0157142
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| Compound Name |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H24Cl2N6O2
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| Molecular Weight |
463.369
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C21H24Cl2N6O2/c1-11-17(24)21(10-31-11)6-8-29(9-7-21)20-25-18-14(19(30)28(20)2)16(26-27-18)12-4-3-5-13(22)15(12)23/h3-5,11,17H,6-10,24H2,1-2H3,(H,26,27)/t11-,17+/m0/s1
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| InChIKey |
AJNXRYLTABACFI-APPDUMDISA-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