General Information of the Compound
| Compound ID |
CP0430102
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| Compound Name |
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C28H21N5O2
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| Molecular Weight |
459.509
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| Canonical SMILES |
Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1cccnc1
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| InChI |
InChI=1S/C28H21N5O2/c34-27-21-5-1-2-6-23(21)32-25-22(27)16-33(26(25)18-7-8-24-17(12-18)9-11-35-24)28-30-14-20(15-31-28)19-4-3-10-29-13-19/h1-8,10,12-15,26H,9,11,16H2,(H,32,34)
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| InChIKey |
OZFGMEDIACSMLO-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