General Information of the Compound
| Compound ID |
CP0505038
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| Compound Name |
1-(2-(benzylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
O=C1NCCc2c1ccc1[nH]cc(CCNCc3ccccc3)c21
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| InChI |
InChI=1S/C20H21N3O/c24-20-17-6-7-18-19(16(17)9-11-22-20)15(13-23-18)8-10-21-12-14-4-2-1-3-5-14/h1-7,13,21,23H,8-12H2,(H,22,24)
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| InChIKey |
PPOZJOPYBNSFPF-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