General Information of the Compound
| Compound ID |
CP0967041
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
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| Structure |
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| Formula |
C17H13ClFNO
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| Molecular Weight |
301.748
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| Canonical SMILES |
Fc1ccc(C2OCCc3c2[nH]c2ccccc32)cc1Cl
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| InChI |
InChI=1S/C17H13ClFNO/c18-13-9-10(5-6-14(13)19)17-16-12(7-8-21-17)11-3-1-2-4-15(11)20-16/h1-6,9,17,20H,7-8H2
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| InChIKey |
IVHNQGZPWYMIRE-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