General Information of the Compound
| Compound ID |
CP0041803
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| Compound Name |
methyl 9a-ethyl-7-oxo-3,8,9,10-tetrahydroindeno[2,1-e]indazole-6-carboxylate
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| Structure |
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| Formula |
C18H18N2O3
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| Molecular Weight |
310.353
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| Canonical SMILES |
CCC12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2
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| InChI |
InChI=1S/C18H18N2O3/c1-3-18-7-6-14(21)15(17(22)23-2)16(18)10-4-5-13-12(9-19-20-13)11(10)8-18/h4-5,9H,3,6-8H2,1-2H3,(H,19,20)
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| InChIKey |
MEWRVCQMJAABQU-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