General Information of the Compound
| Compound ID |
CP0205180
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| Compound Name |
6-[(4R)-4-amino-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 |
C21H24Cl2N6O
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| Molecular Weight |
447.37
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| Canonical SMILES |
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1
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| InChI |
InChI=1S/C21H24Cl2N6O/c1-28-19(30)15-17(12-4-2-5-13(22)16(12)23)26-27-18(15)25-20(28)29-10-8-21(9-11-29)7-3-6-14(21)24/h2,4-5,14H,3,6-11,24H2,1H3,(H,26,27)/t14-/m1/s1
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| InChIKey |
AWCUGJTVKPBYHS-CQSZACIVSA-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