General Information of the Compound
| Compound ID |
CP0425703
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| Compound Name |
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
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| Structure |
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| Formula |
C24H22F2N2O
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| Molecular Weight |
392.449
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H22F2N2O/c1-24-13-16-14-27-28(20-9-7-19(26)8-10-20)22(16)12-17(24)4-11-21(24)23(29)15-2-5-18(25)6-3-15/h2-3,5-10,12,14,21,23,29H,4,11,13H2,1H3/t21-,23-,24+/m1/s1
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| InChIKey |
MSMWLYVCXWTJMM-JRFVFWCSSA-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