General Information of the Compound
| Compound ID |
CP0430043
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| Compound Name |
4-{[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-hydroxy-methyl}-phenol
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| Structure |
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| Formula |
C25H25FN2O2
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| Molecular Weight |
404.485
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(O)cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H25FN2O2/c1-25-14-17-15-27-28(20-9-7-19(26)8-10-20)23(17)13-18(25)3-2-4-22(25)24(30)16-5-11-21(29)12-6-16/h5-13,15,22,24,29-30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1
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| InChIKey |
GEEIYAPDFSGWDJ-KIDMSAQOSA-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