General Information of the Compound
| Compound ID |
CP0862401
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| Compound Name |
(R)-1-(1-(Methylsulfonyl)pyrrolidin-3-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H22N6O3S
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| Molecular Weight |
450.524
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| Canonical SMILES |
CS(=O)(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C22H22N6O3S/c1-32(29,30)27-12-11-16(13-27)28-22-19(21(23)24-14-25-22)20(26-28)15-7-9-18(10-8-15)31-17-5-3-2-4-6-17/h2-10,14,16H,11-13H2,1H3,(H2,23,24,25)/t16-/m1/s1
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| InChIKey |
BBXNGAWBCKLXPW-MRXNPFEDSA-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