General Information of the Compound
| Compound ID |
CP0537777
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| Compound Name |
N-[3-[4-(4-benzhydryloxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C34H27N5O2
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| Molecular Weight |
537.623
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| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(OC(c4ccccc4)c4ccccc4)cc3)c12
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| InChI |
InChI=1S/C34H27N5O2/c1-2-30(40)38-27-15-9-14-25(20-27)29-21-35-33-31(29)34(37-22-36-33)39-26-16-18-28(19-17-26)41-32(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h2-22,32H,1H2,(H,38,40)(H2,35,36,37,39)
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| InChIKey |
MJWAOOZOZOALNY-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