General Information of the Compound
| Compound ID |
CP0957322
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| Compound Name |
(S)-2-((6-(4-(((2-(Dimethylamino)ethyl)amino)methyl)-3-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-phenylethan-1-ol
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| Formula |
C25H29FN6O
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| Molecular Weight |
448.546
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| Canonical SMILES |
CN(C)CCNCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1F
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| InChI |
InChI=1S/C25H29FN6O/c1-32(2)11-10-27-14-19-9-8-18(12-21(19)26)22-13-20-24(30-22)28-16-29-25(20)31-23(15-33)17-6-4-3-5-7-17/h3-9,12-13,16,23,27,33H,10-11,14-15H2,1-2H3,(H2,28,29,30,31)/t23-/m1/s1
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| InChIKey |
GGQZFLJRNIIHJT-HSZRJFAPSA-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