General Information of the Compound
| Compound ID |
CP0451116
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| Compound Name |
(1S)-1-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
C[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1
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| InChI |
InChI=1S/C21H26N2O/c1-14-7-9-18(10-8-14)23-20-11-17-5-4-6-19(15(2)24)21(17,3)12-16(20)13-22-23/h7-11,13,15,19,24H,4-6,12H2,1-3H3/t15-,19+,21-/m0/s1
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| InChIKey |
NEEUNPHRBDQZAB-DLVCFXQMSA-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