General Information of the Compound
| Compound ID |
CP0431916
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| Compound Name |
(E)-3-[3,5-difluoro-4-[(6S,8R)-8-methyl-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H25F2N3O2
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| Molecular Weight |
425.479
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| Canonical SMILES |
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F
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| InChI |
InChI=1S/C24H25F2N3O2/c1-13(2)12-29-14(3)8-17-16(5-6-21-18(17)11-27-28-21)24(29)23-19(25)9-15(10-20(23)26)4-7-22(30)31/h4-7,9-11,13-14,24H,8,12H2,1-3H3,(H,27,28)(H,30,31)/b7-4+/t14-,24+/m1/s1
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| InChIKey |
ORHPBGPDQGRLKQ-KVMPIEMASA-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