General Information of the Compound
| Compound ID |
CP0403832
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| Compound Name |
16-azapentacyclo[6.6.3.0{2,7}.0^{9,14}.0{15,17}]heptadeca-2,4,6,9(14),10,12-hexaene
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| Structure |
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| Formula |
C16H13N
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| Molecular Weight |
219.287
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| Canonical SMILES |
N1C2C1C1c3ccccc3C2c2ccccc12
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| InChI |
InChI=1S/C16H13N/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)16-15(13)17-16/h1-8,13-17H
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| InChIKey |
NIKRFKKUKZETAQ-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