General Information of the Compound
| Compound ID |
CP0920434
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| Compound Name |
(+)3-(2'-Fluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]-pyran]-1-yl)2-(1H-pyrazol-1-ylmethyl)-N,N-dimethylpropanamide L-tatrtaric acid salt
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| Structure |
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| Formula |
C24H33FN4O8S
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| Molecular Weight |
556.613
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| Canonical SMILES |
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1.O=C(O)C(O)C(O)C(=O)O
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| InChI |
InChI=1S/C20H27FN4O2S.C4H6O6/c1-23(2)19(26)16(14-25-8-3-7-22-25)13-24-9-5-20(6-10-24)18-15(4-11-27-20)12-17(21)28-18;5-1(3(7)8)2(6)4(9)10/h3,7-8,12,16H,4-6,9-11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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| InChIKey |
BVIHZGZDOAQABS-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