General Information of the Compound
| Compound ID |
CP0923250
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| Compound Name |
(6S,8R)-6-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)-2-methoxyphenyl)-7-((3-fluorooxetan-3-yl)methyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline
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| Structure |
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| Formula |
C28H34F2N4O3
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| Molecular Weight |
512.601
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| Canonical SMILES |
COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)COC1
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| InChI |
InChI=1S/C28H34F2N4O3/c1-18-9-23-21(5-6-25-24(23)12-31-32-25)27(34(18)15-28(30)16-36-17-28)22-4-3-20(10-26(22)35-2)37-8-7-33-13-19(11-29)14-33/h3-6,10,12,18-19,27H,7-9,11,13-17H2,1-2H3,(H,31,32)/t18-,27+/m1/s1
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| InChIKey |
FGWMCTXWIRQTOT-CLYVBNDRSA-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