General Information of the Compound
| Compound ID |
CP0207747
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| Compound Name |
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]but-3-en-1-ol
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| Structure |
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| Formula |
C22H25FN2O
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| Molecular Weight |
352.453
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CC=C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN2O/c1-3-5-21(26)19-7-4-6-16-12-20-15(13-22(16,19)2)14-24-25(20)18-10-8-17(23)9-11-18/h3,8-12,14,19,21,26H,1,4-7,13H2,2H3/t19-,21+,22+/m1/s1
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| InChIKey |
QELYUNHSBLBUDL-HJNYFJLDSA-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