General Information of the Compound
| Compound ID |
CP0492185
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| Compound Name |
[3-(6-aminopurin-9-yl)azetidin-1-yl]-[1-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrazol-3-yl]methanone
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| Structure |
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| Formula |
C21H30N10O
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| Molecular Weight |
438.54
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| Canonical SMILES |
CC(C)N1CCN(Cc2cc(nn2C)C(=O)N2CC(C2)n2cnc3c(N)ncnc23)CC1
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| InChI |
InChI=1S/C21H30N10O/c1-14(2)29-6-4-28(5-7-29)9-15-8-17(26-27(15)3)21(32)30-10-16(11-30)31-13-25-18-19(22)23-12-24-20(18)31/h8,12-14,16H,4-7,9-11H2,1-3H3,(H2,22,23,24)
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| InChIKey |
AILZFWMIAFOQFT-UHFFFAOYSA-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