General Information of the Compound
| Compound ID |
CP0089480
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| Compound Name |
1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
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| Structure |
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| Formula |
C22H20ClN5O2
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| Molecular Weight |
421.888
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| Canonical SMILES |
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
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| InChI |
InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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| InChIKey |
JCTYQNFVGRNXDM-UHFFFAOYSA-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