General Information of the Compound
| Compound ID |
CP0954281
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| Compound Name |
(S)-2-(3-(4-((2-Hydroxy-1-phenylethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)acetamide
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
NC(=O)Cc1cccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)c1
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| InChI |
InChI=1S/C22H21N5O2/c23-20(29)10-14-5-4-8-16(9-14)18-11-17-21(26-18)24-13-25-22(17)27-19(12-28)15-6-2-1-3-7-15/h1-9,11,13,19,28H,10,12H2,(H2,23,29)(H2,24,25,26,27)/t19-/m1/s1
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| InChIKey |
WVJGGLDVWCTZNK-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