General Information of the Compound
| Compound ID |
CP0915649
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| Compound Name |
1-(3-nitrophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
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| Structure |
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| Formula |
C17H14N2O3
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| Molecular Weight |
294.31
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| Canonical SMILES |
O=[N+]([O-])c1cccc(C2OCCc3c2[nH]c2ccccc32)c1
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| InChI |
InChI=1S/C17H14N2O3/c20-19(21)12-5-3-4-11(10-12)17-16-14(8-9-22-17)13-6-1-2-7-15(13)18-16/h1-7,10,17-18H,8-9H2
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| InChIKey |
SPGIQCHTFXXVRN-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