General Information of the Compound
| Compound ID |
CP0457478
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| Compound Name |
1-(2-(cyclohexylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
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| Structure |
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| Formula |
C19H25N3O
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| Molecular Weight |
311.429
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| Canonical SMILES |
O=C1NCCc2c1ccc1[nH]cc(CCNC3CCCCC3)c21
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| InChI |
InChI=1S/C19H25N3O/c23-19-16-6-7-17-18(15(16)9-11-21-19)13(12-22-17)8-10-20-14-4-2-1-3-5-14/h6-7,12,14,20,22H,1-5,8-11H2,(H,21,23)
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| InChIKey |
IBXVMVQPTZTSMW-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