General Information of the Compound
| Compound ID |
CP0435103
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| Compound Name |
(2R,3S,4S)-3-(3-methylbutyl)-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 |
C13H18N2O2
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| Molecular Weight |
234.299
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| Canonical SMILES |
CC(C)CC[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12
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| InChI |
InChI=1S/C13H18N2O2/c1-6(2)3-4-7-8-5-9-11(10(7)8)14-15-12(9)13(16)17/h6-8,10H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t7-,8-,10+/m0/s1
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| InChIKey |
SMRCQUXQWVGCOP-OYNCUSHFSA-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