General Information of the Compound
| Compound ID |
CP0429468
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| Compound Name |
(2S,3R,4R)-3-(phenoxymethyl)-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 |
C15H14N2O3
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| Molecular Weight |
270.288
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| Canonical SMILES |
OC(=O)c1n[nH]c2[C@@H]3[C@H](COc4ccccc4)[C@@H]3Cc12
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| InChI |
InChI=1S/C15H14N2O3/c18-15(19)14-10-6-9-11(12(9)13(10)16-17-14)7-20-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,16,17)(H,18,19)/t9-,11+,12-/m0/s1
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| InChIKey |
AVUUOKAXFDRGKK-WCQGTBRESA-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