General Information of the Compound
| Compound ID |
CP0444611
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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-thiophen-3-ylethanol
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| Formula |
C25H28N2O2S
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| Molecular Weight |
420.578
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@](C)(O)c1ccsc1
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| InChI |
InChI=1S/C25H28N2O2S/c1-24-14-17-15-26-27(20-7-9-21(29-3)10-8-20)22(17)13-18(24)5-4-6-23(24)25(2,28)19-11-12-30-16-19/h7-13,15-16,23,28H,4-6,14H2,1-3H3/t23-,24-,25-/m0/s1
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| InChIKey |
HOBAQIGXJTWJIG-SDHOMARFSA-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