General Information of the Compound
| Compound ID |
CP0296034
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| Compound Name |
(E)-3-[3,5-difluoro-4-[(1S)-2-[(2S)-3-fluoro-2-methylpropyl]-6-hydroxy-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H26F3NO3
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| Molecular Weight |
433.47
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| Canonical SMILES |
C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
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| InChI |
InChI=1S/C24H26F3NO3/c1-14(12-25)13-28-23(18-6-5-17(29)10-16(18)11-24(28,2)3)22-19(26)8-15(9-20(22)27)4-7-21(30)31/h4-10,14,23,29H,11-13H2,1-3H3,(H,30,31)/b7-4+/t14-,23+/m1/s1
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| InChIKey |
MPTANJOCHVNPOF-YSABXFCNSA-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