General Information of the Compound
| Compound ID |
CP0319410
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| Compound Name |
N-[(4-fluorophenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine
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| Structure |
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| Formula |
C18H17FN4O2S
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| Molecular Weight |
372.425
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| Canonical SMILES |
CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
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| InChI |
InChI=1S/C18H17FN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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| InChIKey |
CNJVEOVFYHCDGZ-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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