General Information of the Compound
| Compound ID |
CP0563743
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| Compound Name |
1-phenyl-3-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea
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| Structure |
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| Formula |
C21H20N6O
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| Molecular Weight |
372.432
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3[nH]ccc23)c1
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| InChI |
InChI=1S/C21H20N6O/c28-21(26-16-6-2-1-3-7-16)27-17-8-4-5-15(13-17)9-11-22-19-18-10-12-23-20(18)25-14-24-19/h1-8,10,12-14H,9,11H2,(H2,26,27,28)(H2,22,23,24,25)
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| InChIKey |
NJEDGYHSYHYSAM-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