General Information of the Compound
| Compound ID |
CP0176106
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| Compound Name |
(E)-3-[3,5-difluoro-4-[(1S)-6-hydroxy-2-[(2R)-3-methoxy-2-methylpropyl]-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H29F2NO4
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| Molecular Weight |
445.506
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| Canonical SMILES |
COC[C@H](C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
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| InChI |
InChI=1S/C25H29F2NO4/c1-15(14-32-4)13-28-24(19-7-6-18(29)11-17(19)12-25(28,2)3)23-20(26)9-16(10-21(23)27)5-8-22(30)31/h5-11,15,24,29H,12-14H2,1-4H3,(H,30,31)/b8-5+/t15-,24+/m1/s1
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| InChIKey |
RHULNOGMDMVIAT-MMYVYCHFSA-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