General Information of the Compound
| Compound ID |
CP0885383
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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-propylbenzamide
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| Structure |
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| Formula |
C29H31F2N3O2
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| Molecular Weight |
491.582
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| Canonical SMILES |
CCCNC(=O)c1c(F)cccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C
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| InChI |
InChI=1S/C29H31F2N3O2/c1-3-15-32-27(35)26-19(5-4-6-24(26)31)11-13-29(36)14-12-21-16-25-20(17-28(21,29)2)18-33-34(25)23-9-7-22(30)8-10-23/h4-10,16,18,36H,3,11-15,17H2,1-2H3,(H,32,35)/t28-,29-/m0/s1
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| InChIKey |
YVAPHXZZWXOCGQ-VMPREFPWSA-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