General Information of the Compound
| Compound ID |
CP0415936
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| Compound Name |
spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
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| Structure |
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| Formula |
C12H14N2O2
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| Molecular Weight |
218.256
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| Canonical SMILES |
OC(=O)c1n[nH]c2C3C(Cc12)C31CCCC1
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| InChI |
InChI=1S/C12H14N2O2/c15-11(16)10-6-5-7-8(9(6)13-14-10)12(7)3-1-2-4-12/h7-8H,1-5H2,(H,13,14)(H,15,16)
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| InChIKey |
CYZOEHLTHQQWSY-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