General Information of the Compound
| Compound ID |
CP0386312
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| Compound Name |
1-cyclopentyl-3-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]urea
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| Structure |
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| Formula |
C25H24N4O
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| Molecular Weight |
396.494
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| Canonical SMILES |
O=C(NC1CCCC1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C25H24N4O/c30-25(28-20-10-4-5-11-20)29-21-12-6-9-18(13-21)23-16-27-24-22(23)14-19(15-26-24)17-7-2-1-3-8-17/h1-3,6-9,12-16,20H,4-5,10-11H2,(H,26,27)(H2,28,29,30)
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| InChIKey |
WEUBRKIFFZSMJY-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
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1