General Information of the Compound
| Compound ID |
CP0451115
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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]-phenylmethanol
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| Formula |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@H](O)c1ccccc1
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| InChI |
InChI=1S/C26H28N2O2/c1-26-16-19-17-27-28(21-11-13-22(30-2)14-12-21)24(19)15-20(26)9-6-10-23(26)25(29)18-7-4-3-5-8-18/h3-5,7-8,11-15,17,23,25,29H,6,9-10,16H2,1-2H3/t23-,25+,26+/m1/s1
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| InChIKey |
FCTQYCNGUCYSET-AFESJLNVSA-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