General Information of the Compound
| Compound ID |
CP0118683
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| Compound Name |
(R)-7-Methyl-6a,7,8,9-tetrahydro-2H,6H-2,7-diaza-benzo[cd]pyren-1-one
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| Structure |
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| Formula |
C18H16N2O
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| Molecular Weight |
276.339
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| Canonical SMILES |
CN1CCc2ccc3c4c2[C@H]1Cc1cccc([nH]c3=O)c41
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| InChI |
InChI=1S/C18H16N2O/c1-20-8-7-10-5-6-12-17-15-11(9-14(20)16(10)17)3-2-4-13(15)19-18(12)21/h2-6,14H,7-9H2,1H3,(H,19,21)/t14-/m1/s1
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| InChIKey |
DTLGJDYEVFKDLJ-CQSZACIVSA-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