General Information of the Compound
| Compound ID |
CP0563744
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| Compound Name |
1-phenyl-3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentyl]urea
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| Structure |
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| Formula |
C18H22N6O
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| Molecular Weight |
338.415
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| Canonical SMILES |
O=C(NCCCCCNc1ncnc2[nH]ccc12)Nc1ccccc1
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| InChI |
InChI=1S/C18H22N6O/c25-18(24-14-7-3-1-4-8-14)21-11-6-2-5-10-19-16-15-9-12-20-17(15)23-13-22-16/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H2,21,24,25)(H2,19,20,22,23)
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| InChIKey |
HQEFSQBPHGCPJX-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