General Information of the Compound
| Compound ID |
CP0320275
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| Compound Name |
1-(3-Chloro-4-fluoro-phenylamino)-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloheptene-8-carboxylic acid
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| Structure |
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| Formula |
C18H12ClFN4O3
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| Molecular Weight |
386.77
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| Canonical SMILES |
OC(=O)c1ccc2Oc3ncnc(Nc4ccc(F)c(Cl)c4)c3NCc2c1
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| InChI |
InChI=1S/C18H12ClFN4O3/c19-12-6-11(2-3-13(12)20)24-16-15-17(23-8-22-16)27-14-4-1-9(18(25)26)5-10(14)7-21-15/h1-6,8,21H,7H2,(H,25,26)(H,22,23,24)
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| InChIKey |
XMZQDPMKLWTDHO-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