General Information of the Compound
| Compound ID |
CP0564676
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| Compound Name |
3-(2-amino-3-chloropyridin-4-yl)-6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H25ClN8O2
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| Molecular Weight |
444.927
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C20H25ClN8O2/c1-10-15(22)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(23)13(11)21/h3,6,10,15H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,15+/m0/s1
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| InChIKey |
JTCZGRROOCNPNW-ZUZCIYMTSA-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