General Information of the Compound
| Compound ID |
CP0315915
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| Compound Name |
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine
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| Structure |
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| Formula |
C17H15FN4O2S
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| Molecular Weight |
358.398
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| Canonical SMILES |
CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
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| InChI |
InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3
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| InChIKey |
VKHQVZALROIDPM-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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