General Information of the Compound
| Compound ID |
CP0339643
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| Compound Name |
9a-ethyl-6-(4-hydroxy-phenyl)-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
CCC12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)c1ccc(O)cc1
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| InChI |
InChI=1S/C21H19N3O2/c1-2-21-10-9-17(26)18(12-3-5-13(25)6-4-12)19(21)14-7-8-16-20(15(14)11-21)23-24-22-16/h3-8,25H,2,9-11H2,1H3,(H,22,23,24)
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| InChIKey |
KLEGMOSYJXJPHV-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