General Information of the Compound
| Compound ID |
CP0380856
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| Compound Name |
(2S,3R,4R)-3-methyl-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 |
C9H10N2O2
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| Molecular Weight |
178.191
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| Canonical SMILES |
C[C@@H]1[C@H]2Cc3c([nH]nc3C(O)=O)[C@@H]12
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| InChI |
InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,6+/m1/s1
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| InChIKey |
RTKOUBUTPYWYHC-KODRXGBYSA-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