General Information of the Compound
| Compound ID |
CP0562629
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| Compound Name |
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
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| Structure |
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| Formula |
C25H20F6N2O
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| Molecular Weight |
478.436
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1c(F)c(F)c(F)c(F)c1F)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H20F6N2O/c1-25-10-12-11-32-33(15-7-5-14(26)6-8-15)17(12)9-13(25)3-2-4-16(25)24(34)18-19(27)21(29)23(31)22(30)20(18)28/h5-9,11,16,24,34H,2-4,10H2,1H3/t16-,24+,25+/m1/s1
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| InChIKey |
SSRKMRKOAIRANV-MNCIPDHPSA-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