General Information of the Compound
| Compound ID |
CP0505997
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| Compound Name |
1-(2-(quinolin-8-ylmethylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cccc4cccnc34)c21
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| InChI |
InChI=1S/C23H22N4O/c28-23-19-6-7-20-21(18(19)9-12-26-23)16(14-27-20)8-11-24-13-17-4-1-3-15-5-2-10-25-22(15)17/h1-7,10,14,24,27H,8-9,11-13H2,(H,26,28)
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| InChIKey |
NXDMLDJTEYAEAK-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