General Information of the Compound
| Compound ID |
CP0277224
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| Compound Name |
2-{5-[4-(2-Diethylamino-ethoxy)-phenyl]-pyrimidin-2-yl}-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C35H35N5O3
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| Molecular Weight |
573.697
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| Canonical SMILES |
CCN(CC)CCOc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
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| InChI |
InChI=1S/C35H35N5O3/c1-3-39(4-2)16-18-42-27-12-9-23(10-13-27)26-20-36-35(37-21-26)40-22-29-32(38-30-8-6-5-7-28(30)34(29)41)33(40)25-11-14-31-24(19-25)15-17-43-31/h5-14,19-21,33H,3-4,15-18,22H2,1-2H3,(H,38,41)
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| InChIKey |
HVWJVGHTKLDAGJ-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