General Information of the Compound
| Compound ID |
CP0435819
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| Compound Name |
3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
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| Structure |
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| Formula |
C10H12N2O2
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| Molecular Weight |
192.218
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| Canonical SMILES |
CC1(C)C2Cc3c([nH]nc3C(O)=O)C12
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| InChI |
InChI=1S/C10H12N2O2/c1-10(2)5-3-4-7(6(5)10)11-12-8(4)9(13)14/h5-6H,3H2,1-2H3,(H,11,12)(H,13,14)
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| InChIKey |
WVIAXGYIVDKKEC-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