General Information of the Compound
| Compound ID |
CP0419142
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| Compound Name |
2-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]propan-2-ol
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)C(C)(C)O
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| InChI |
InChI=1S/C22H28N2O2/c1-21(2,25)20-7-5-6-16-12-19-15(13-22(16,20)3)14-23-24(19)17-8-10-18(26-4)11-9-17/h8-12,14,20,25H,5-7,13H2,1-4H3/t20-,22+/m1/s1
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| InChIKey |
WHGKWYAFLKLWNU-IRLDBZIGSA-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