General Information of the Compound
| Compound ID |
CP0942944
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| Compound Name |
6-((6S,8R)-4-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-N-(1-(3-fluoropropyl)azetidin-3-yl)pyridin-3-amine
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| Formula |
C24H27F5N6
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| Molecular Weight |
494.512
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| Canonical SMILES |
C[C@@H]1Cc2c(cc(F)c3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C24H27F5N6/c1-14-7-17-18(8-20(26)22-19(17)10-31-33-22)23(35(14)13-24(27,28)29)21-4-3-15(9-30-21)32-16-11-34(12-16)6-2-5-25/h3-4,8-10,14,16,23,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,23+/m1/s1
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| InChIKey |
NFIYRYVOKUOJKG-FATZIPQQSA-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