General Information of the Compound
| Compound ID |
CP0372120
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| Compound Name |
(R)-N3-(2,6-dichlorophenyl)-1-(2-(3-(dimethylamino)pyrrolidin-1-yl)ethyl)-N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C25H28Cl2N8
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| Molecular Weight |
511.461
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| Canonical SMILES |
CN(C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)C1
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| InChI |
InChI=1S/C25H28Cl2N8/c1-33(2)18-11-12-34(16-18)13-14-35-24-19(15-28-25(31-24)29-17-7-4-3-5-8-17)23(32-35)30-22-20(26)9-6-10-21(22)27/h3-10,15,18H,11-14,16H2,1-2H3,(H,30,32)(H,28,29,31)/t18-/m1/s1
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| InChIKey |
YXUXJARSJNHIBD-GOSISDBHSA-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