General Information of the Compound
| Compound ID |
CP0025295
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| Compound Name |
5-Bromo-3-(3-phenoxy-benzylidene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one
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| Structure |
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| Formula |
C20H13BrN2O2
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| Molecular Weight |
393.24
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| Canonical SMILES |
Brc1cnc2NC(=O)\C(=C/c3cccc(Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C20H13BrN2O2/c21-14-11-17-18(20(24)23-19(17)22-12-14)10-13-5-4-8-16(9-13)25-15-6-2-1-3-7-15/h1-12H,(H,22,23,24)/b18-10-
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| InChIKey |
ZAQPJTWHEWHPNC-ZDLGFXPLSA-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