General Information of the Compound
| Compound ID |
CP0487470
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| Compound Name |
(R)-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-thiophen-3-ylmethanol
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| Formula |
C24H26N2O2S
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| Molecular Weight |
406.551
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@H](O)c1ccsc1
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| InChI |
InChI=1S/C24H26N2O2S/c1-24-13-17-14-25-26(19-6-8-20(28-2)9-7-19)22(17)12-18(24)4-3-5-21(24)23(27)16-10-11-29-15-16/h6-12,14-15,21,23,27H,3-5,13H2,1-2H3/t21-,23+,24+/m1/s1
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| InChIKey |
LPRCIKPOORTUQC-NHTMILBNSA-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