General Information of the Compound
| Compound ID |
CP0472118
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| Compound Name |
1-(2-((1-methyl-1H-pyrazol-4-yl)methylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
Cn1cc(CNCCc2c[nH]c3ccc4C(=O)NCCc4c23)cn1
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| InChI |
InChI=1S/C18H21N5O/c1-23-11-12(9-22-23)8-19-6-4-13-10-21-16-3-2-15-14(17(13)16)5-7-20-18(15)24/h2-3,9-11,19,21H,4-8H2,1H3,(H,20,24)
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| InChIKey |
OIODSGGCOMSLCE-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