General Information of the Compound
| Compound ID |
CP0903485
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| Compound Name |
(6S,8R)-6-(2,6-Difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-7-isobutyl-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline
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| Structure |
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| Formula |
C27H33F3N4O
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| Molecular Weight |
486.582
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| Canonical SMILES |
CC(C)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]ncc3c2C[C@H]1C
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| InChI |
InChI=1S/C27H33F3N4O/c1-16(2)13-34-17(3)8-21-20(4-5-25-22(21)12-31-32-25)27(34)26-23(29)9-19(10-24(26)30)35-7-6-33-14-18(11-28)15-33/h4-5,9-10,12,16-18,27H,6-8,11,13-15H2,1-3H3,(H,31,32)/t17-,27+/m1/s1
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| InChIKey |
XOOAXKKPWJTKKV-CRYYWNKWSA-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