General Information of the Compound
| Compound ID |
CP0185378
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine
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| Synonyms |
1BR
4i4f
BDBM50430287
GTPL7864
PMID23414845C30
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
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| InChI |
InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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| InChIKey |
AVFJKWOKOZKXRX-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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Clinical Information about the Compound