General Information of the Compound
| Compound ID |
CP0911491
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| Compound Name |
(6R,8R)-6-(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 |
C27H35FN4O
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| Molecular Weight |
450.602
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| Canonical SMILES |
CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2ccc3[nH]ncc3c2C[C@H]1C
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| InChI |
InChI=1S/C27H35FN4O/c1-18(2)15-32-19(3)12-24-23(8-9-26-25(24)14-29-30-26)27(32)21-4-6-22(7-5-21)33-11-10-31-16-20(13-28)17-31/h4-9,14,18-20,27H,10-13,15-17H2,1-3H3,(H,29,30)/t19-,27-/m1/s1
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| InChIKey |
ORDDIXHSVIQHGM-XHCCPWGMSA-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