General Information of the Compound
| Compound ID |
CP0496995
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| Compound Name |
3-Benzo[1,3]dioxol-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 |
C27H19N5O3
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| Molecular Weight |
461.481
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| Canonical SMILES |
Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ncc(cn1)-c1cccnc1
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| InChI |
InChI=1S/C27H19N5O3/c33-26-19-5-1-2-6-21(19)31-24-20(26)14-32(25(24)16-7-8-22-23(10-16)35-15-34-22)27-29-12-18(13-30-27)17-4-3-9-28-11-17/h1-13,25H,14-15H2,(H,31,33)
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| InChIKey |
AKRKBCPZPCYVPG-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