General Information of the Compound
| Compound ID |
CP0141028
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| Compound Name |
1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[a]trinden-4-one
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| Structure |
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| Formula |
C17H14N2O
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| Molecular Weight |
262.312
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| Canonical SMILES |
O=C1NCc2c1c1CCCc1c1[nH]c3ccccc3c21
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| InChI |
InChI=1S/C17H14N2O/c20-17-15-9-5-3-6-10(9)16-14(12(15)8-18-17)11-4-1-2-7-13(11)19-16/h1-2,4,7,19H,3,5-6,8H2,(H,18,20)
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| InChIKey |
BBZSKJOXRZKMDF-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