General Information of the Compound
| Compound ID |
CP0854574
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| Compound Name |
2-Fluoro-6-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}-N-(2-methylprop-2-en-1-yl)benzamide
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| Structure |
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| Formula |
C30H31F2N3O2
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| Molecular Weight |
503.593
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| Canonical SMILES |
C=C(C)CNC(=O)c1c(F)cccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C
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| InChI |
InChI=1S/C30H31F2N3O2/c1-19(2)17-33-28(36)27-20(5-4-6-25(27)32)11-13-30(37)14-12-22-15-26-21(16-29(22,30)3)18-34-35(26)24-9-7-23(31)8-10-24/h4-10,15,18,37H,1,11-14,16-17H2,2-3H3,(H,33,36)/t29-,30-/m0/s1
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| InChIKey |
OSHOGUDTDATFEO-KYJUHHDHSA-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