General Information of the Compound
| Compound ID |
CP0405309
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| Compound Name |
6-(3,3-dimethylbutan-2-yloxy)-3,4-dihydro-2H-pyrido[3,4-b]indol-1(9H)-one
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| Structure |
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| Formula |
C17H22N2O2
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| Molecular Weight |
286.375
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| Canonical SMILES |
CC(Oc1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C
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| InChI |
InChI=1S/C17H22N2O2/c1-10(17(2,3)4)21-11-5-6-14-13(9-11)12-7-8-18-16(20)15(12)19-14/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,20)
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| InChIKey |
QAGHSKBAFQISLB-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