General Information of the Compound
| Compound ID |
CP0873121
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| Compound Name |
1-(benzo[d][1,3]dioxol-4-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
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| Structure |
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| Formula |
C18H15NO3
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| Molecular Weight |
293.322
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| Canonical SMILES |
c1cc2c(c(C3OCCc4c3[nH]c3ccccc43)c1)OCO2
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| InChI |
InChI=1S/C18H15NO3/c1-2-6-14-11(4-1)12-8-9-20-18(16(12)19-14)13-5-3-7-15-17(13)22-10-21-15/h1-7,18-19H,8-10H2
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| InChIKey |
TYIZFFYGZFTNHH-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