General Information of the Compound
| Compound ID |
CP0455543
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| Compound Name |
(E)-3-[4-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxyphenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H30FN3O3
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| Molecular Weight |
451.542
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| Canonical SMILES |
COc1cc(\C=C\C(O)=O)ccc1[C@@]1(C)N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
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| InChI |
InChI=1S/C26H30FN3O3/c1-16-12-18-19-14-28-29-22(19)10-9-20(18)26(4,30(16)15-25(2,3)27)21-8-6-17(7-11-24(31)32)13-23(21)33-5/h6-11,13-14,16H,12,15H2,1-5H3,(H,28,29)(H,31,32)/b11-7+/t16-,26+/m1/s1
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| InChIKey |
DVQPLSOQSDHSEF-BWAGSXMKSA-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