General Information of the Compound
| Compound ID |
CP0481764
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| Compound Name |
4,4-dimethyl-7-(2-methyloctan-2-yl)-1H-chromeno[4,3-c]pyrazole-6,9-dione
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| Synonyms |
PMID27215781-Compound-37
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| Structure |
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3c[nH]nc23)C1=O
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| InChI |
InChI=1S/C21H28N2O3/c1-6-7-8-9-10-20(2,3)13-11-15(24)16-17-14(12-22-23-17)21(4,5)26-19(16)18(13)25/h11-12H,6-10H2,1-5H3,(H,22,23)
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| InChIKey |
XRDIITMVNDBOHN-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
Drug 1 ( PMID27215781-Compound-37 )
| Drug Name | PMID27215781-Compound-37 | ||
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| Company | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTICAS (CSIC) UNIVERSIDAD DE ALCAL DE HENARES UNIVERSIDAD COMPLUTENSE DE MADRID | ||
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