General Information of the Compound
| Compound ID |
CP0501159
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| Compound Name |
3-(2,3-Dihydro-benzofuran-5-yl)-2-(4-imidazol-1-yl-phenyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C28H22N4O2
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| Molecular Weight |
446.51
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| Canonical SMILES |
Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cc1)-n1ccnc1
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| InChI |
InChI=1S/C28H22N4O2/c33-28-22-3-1-2-4-24(22)30-26-23(28)16-32(21-8-6-20(7-9-21)31-13-12-29-17-31)27(26)19-5-10-25-18(15-19)11-14-34-25/h1-10,12-13,15,17,27H,11,14,16H2,(H,30,33)
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| InChIKey |
ZCEJGYXDDZGNNQ-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