General Information of the Compound
| Compound ID |
CP0462656
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| Compound Name |
1-(2-((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 |
C17H19N5O
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| Molecular Weight |
309.373
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| Canonical SMILES |
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cn[nH]c3)c21
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| InChI |
InChI=1S/C17H19N5O/c23-17-14-1-2-15-16(13(14)4-6-19-17)12(10-20-15)3-5-18-7-11-8-21-22-9-11/h1-2,8-10,18,20H,3-7H2,(H,19,23)(H,21,22)
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| InChIKey |
GBNXZKUIQKSFDY-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