General Information of the Compound
| Compound ID |
CP0943929
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| Compound Name |
N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6S,8R)-5-methoxy-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-amine
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| Formula |
C25H30F4N6O
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| Molecular Weight |
506.548
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| Canonical SMILES |
COc1cc2[nH]ncc2c2c1[C@@H](c1ccc(NC3CN(CCCF)C3)cn1)N(CC(F)(F)F)[C@H](C)C2
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| InChI |
InChI=1S/C25H30F4N6O/c1-15-8-18-19-11-31-33-21(19)9-22(36-2)23(18)24(35(15)14-25(27,28)29)20-5-4-16(10-30-20)32-17-12-34(13-17)7-3-6-26/h4-5,9-11,15,17,24,32H,3,6-8,12-14H2,1-2H3,(H,31,33)/t15-,24-/m1/s1
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| InChIKey |
CXTVOHJJVUKKOE-OYLFLEFRSA-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