General Information of the Compound
| Compound ID |
CP0521352
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| Compound Name |
(R)-(1-(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)pyrrolidin-2-yl)methanol
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| Structure |
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| Formula |
C24H25Cl2N7O
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| Molecular Weight |
498.418
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| Canonical SMILES |
OC[C@H]1CCCN1CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C24H25Cl2N7O/c25-19-9-4-10-20(26)21(19)29-22-18-14-27-24(28-16-6-2-1-3-7-16)30-23(18)33(31-22)13-12-32-11-5-8-17(32)15-34/h1-4,6-7,9-10,14,17,34H,5,8,11-13,15H2,(H,29,31)(H,27,28,30)/t17-/m1/s1
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| InChIKey |
OCSHJFOIIRJOEA-QGZVFWFLSA-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