General Information of the Compound
| Compound ID |
CP0548619
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| Compound Name |
2-[4-[dideuterio-[(8,9-dimethylpyrazolo[3,4-h]quinazolin-4-yl)amino]methyl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
363.4612036
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| Canonical SMILES |
[2H]C([2H])(Nc1ncnc2c3c(C)n(C)nc3ccc12)c1ccc(cc1)C(C)(C)O
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| InChI |
InChI=1S/C21H23N5O/c1-13-18-17(25-26(13)4)10-9-16-19(18)23-12-24-20(16)22-11-14-5-7-15(8-6-14)21(2,3)27/h5-10,12,27H,11H2,1-4H3,(H,22,23,24)/i11D2
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| InChIKey |
ATIZZBTWIFKCAK-ZWGOZCLVSA-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