General Information of the Compound
| Compound ID |
CP0955784
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| Compound Name |
5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6S,8R)-8-methyl-7-(2,2,3-trifluoropropyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-amine
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| Structure |
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| Formula |
C25H29F5N6
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| Molecular Weight |
508.539
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CF
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| InChI |
InChI=1S/C25H29F5N6/c1-15-7-19-18(3-4-22-20(19)10-32-34-22)24(36(15)14-25(29,30)13-27)23-21(28)8-16(9-31-23)33-17-11-35(12-17)6-2-5-26/h3-4,8-10,15,17,24,33H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,24+/m1/s1
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| InChIKey |
GGSBMAVBGZRJPI-MYYSRTQBSA-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