General Information of the Compound
| Compound ID |
CP0476261
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| Compound Name |
(1'S,5S,6'R)-1-(4-fluorophenyl)-6'-prop-2-ynylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol
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| Structure |
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| Formula |
C21H21FN2O
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| Molecular Weight |
336.41
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| Canonical SMILES |
O[C@H]1[C@@H](CC#C)CCC[C@@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O/c1-2-4-15-5-3-11-21(20(15)25)12-10-19-16(13-21)14-23-24(19)18-8-6-17(22)7-9-18/h1,6-10,12,14-15,20,25H,3-5,11,13H2/t15-,20-,21+/m0/s1
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| InChIKey |
FBWPKNLTMPDBNN-ONGXBYRLSA-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