General Information of the Compound
| Compound ID |
CP0953969
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| Compound Name |
(6S,8R)-7-((1-Fluorocyclopropyl)methyl)-6-(5-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)pyridin-2-yl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline
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| Structure |
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| Formula |
C26H31F2N5O
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| Molecular Weight |
467.564
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC1(F)CC1
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| InChI |
InChI=1S/C26H31F2N5O/c1-17-10-21-20(3-5-23-22(21)13-30-31-23)25(33(17)16-26(28)6-7-26)24-4-2-19(12-29-24)34-9-8-32-14-18(11-27)15-32/h2-5,12-13,17-18,25H,6-11,14-16H2,1H3,(H,30,31)/t17-,25+/m1/s1
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| InChIKey |
RVTVPCLLBDRIIH-NSYGIPOTSA-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