General Information of the Compound
| Compound ID |
CP0509699
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| Compound Name |
(5S)-1-(4-fluorophenyl)-1'-(4-methoxyphenyl)spiro[4H-indazole-5,6'-cyclohexene]
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| Structure |
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| Formula |
C25H23FN2O
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| Molecular Weight |
386.47
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| Canonical SMILES |
COc1ccc(cc1)C1=CCCC[C@@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H23FN2O/c1-29-22-11-5-18(6-12-22)23-4-2-3-14-25(23)15-13-24-19(16-25)17-27-28(24)21-9-7-20(26)8-10-21/h4-13,15,17H,2-3,14,16H2,1H3/t25-/m1/s1
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| InChIKey |
ZSVKRBSJGZUXBL-RUZDIDTESA-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