General Information of the Compound
| Compound ID |
CP0853961
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| Compound Name |
(2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione
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| Structure |
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| Formula |
C20H16N2O4
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| Molecular Weight |
348.358
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
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| InChI |
InChI=1S/C20H16N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-6,9-12,17-18H,7-8H2/t11?,12?,17-,18+
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| InChIKey |
ZFUHXOBHXPPDRQ-RQRATOPWSA-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