General Information of the Compound
| Compound ID |
CP0437544
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| Compound Name |
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)-phenylphosphonamidic acid
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| Structure |
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| Formula |
C19H21N2O3P
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| Molecular Weight |
356.362
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| Canonical SMILES |
OP(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)c1ccccc1
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| InChI |
InChI=1S/C19H21N2O3P/c22-19(21-25(23,24)15-8-2-1-3-9-15)20-18-16-10-4-6-13(16)12-14-7-5-11-17(14)18/h1-3,8-9,12H,4-7,10-11H2,(H3,20,21,22,23,24)
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| InChIKey |
KRJFNHMNCYWXNE-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