General Information of the Compound
| Compound ID |
CP0100310
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| Compound Name |
9a-butyl-6-methyl-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 |
C18H21N3O
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| Molecular Weight |
295.386
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| Canonical SMILES |
CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(C)C(=O)CC2
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| InChI |
InChI=1S/C18H21N3O/c1-3-4-8-18-9-7-15(22)11(2)16(18)12-5-6-14-17(13(12)10-18)20-21-19-14/h5-6H,3-4,7-10H2,1-2H3,(H,19,20,21)
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| InChIKey |
VOKUMQGNXZJKDV-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