General Information of the Compound
| Compound ID |
CP0419132
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| Compound Name |
(R)-(3,4-difluoro-5-methoxyphenyl)-[(5S)-1-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydrobenzo[f]indazol-5-yl]methanol
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| Formula |
C26H26F2N2O3
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| Molecular Weight |
452.501
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2CC3[C@H](CCCC3=Cc12)[C@@H](O)c1cc(F)c(F)c(OC)c1
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| InChI |
InChI=1S/C26H26F2N2O3/c1-32-19-8-6-18(7-9-19)30-23-12-15-4-3-5-20(21(15)10-17(23)14-29-30)26(31)16-11-22(27)25(28)24(13-16)33-2/h6-9,11-14,20-21,26,31H,3-5,10H2,1-2H3/t20-,21?,26-/m0/s1
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| InChIKey |
QAGAGBQKNPFAEQ-ZYOOMIPPSA-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