General Information of the Compound
| Compound ID |
CP0514454
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| Compound Name |
1-(3-(5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-phenoxyphenyl)urea
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| Structure |
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| Formula |
C30H23N5O2
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| Molecular Weight |
485.547
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccc[nH]1)Nc1ccccc1Oc1ccccc1
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| InChI |
InChI=1S/C30H23N5O2/c36-30(35-27-12-4-5-14-28(27)37-23-10-2-1-3-11-23)34-22-9-6-8-20(16-22)25-19-33-29-24(25)17-21(18-32-29)26-13-7-15-31-26/h1-19,31H,(H,32,33)(H2,34,35,36)
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| InChIKey |
KRCWIMOFFZNJDN-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