General Information of the Compound
| Compound ID |
CP0719016
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| Compound Name |
(S)-2-(6-(4-(hydroxymethyl)-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2-phenylethanol
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
COc1cc(CO)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1
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| InChI |
InChI=1S/C22H22N4O3/c1-29-20-9-14(11-27)7-8-16(20)18-10-17-21(25-18)23-13-24-22(17)26-19(12-28)15-5-3-2-4-6-15/h2-10,13,19,27-28H,11-12H2,1H3,(H2,23,24,25,26)/t19-/m1/s1
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| InChIKey |
XASIDLKFOKNOHS-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