General Information of the Compound
| Compound ID |
CP0642000
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| Compound Name |
(S)-2-(6-(4-(hydroxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2-phenylethanol
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
OCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1
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| InChI |
InChI=1S/C21H20N4O2/c26-11-14-6-8-16(9-7-14)18-10-17-20(24-18)22-13-23-21(17)25-19(12-27)15-4-2-1-3-5-15/h1-10,13,19,26-27H,11-12H2,(H2,22,23,24,25)/t19-/m1/s1
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| InChIKey |
DUJFULDKIMTVNA-LJQANCHMSA-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