General Information of the Compound
| Compound ID |
CP0045469
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| Compound Name |
9a-ethyl-3,8,9,10-tetrahydroindeno[2,1-e]indazol-7-one
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| Structure |
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| Formula |
C16H16N2O
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| Molecular Weight |
252.317
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| Canonical SMILES |
CCC12Cc3c(ccc4[nH]ncc34)C1=CC(=O)CC2
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| InChI |
InChI=1S/C16H16N2O/c1-2-16-6-5-10(19)7-14(16)11-3-4-15-13(9-17-18-15)12(11)8-16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)
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| InChIKey |
KUCGCBYXZWCFQC-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