General Information of the Compound
| Compound ID |
CP0476262
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| Compound Name |
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
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| Structure |
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| Formula |
C24H21FN2O
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| Molecular Weight |
372.443
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| Canonical SMILES |
Oc1ccc(cc1)C1=CCCC[C@@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H21FN2O/c25-19-6-8-20(9-7-19)27-23-12-14-24(15-18(23)16-26-27)13-2-1-3-22(24)17-4-10-21(28)11-5-17/h3-12,14,16,28H,1-2,13,15H2/t24-/m1/s1
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| InChIKey |
FFKAKVHDQLARRR-XMMPIXPASA-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