General Information of the Compound
| Compound ID |
CP0419172
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| Compound Name |
(1R)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(3,4-difluoro-5-methoxyphenyl)ethanol
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| Formula |
C28H30F2N2O3
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| Molecular Weight |
480.555
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@](C)(O)c1cc(F)c(F)c(OC)c1
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| InChI |
InChI=1S/C28H30F2N2O3/c1-27-15-17-16-31-32(20-8-10-21(34-3)11-9-20)23(17)13-18(27)6-5-7-25(27)28(2,33)19-12-22(29)26(30)24(14-19)35-4/h8-14,16,25,33H,5-7,15H2,1-4H3/t25-,27-,28-/m0/s1
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| InChIKey |
XASPQXYKXFSVPK-MYKRZTLLSA-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