General Information of the Compound
| Compound ID |
CP0176500
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| Compound Name |
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
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| Structure |
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| Formula |
C29H35FN4O2S
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| Molecular Weight |
522.69
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| Canonical SMILES |
CCNC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H35FN4O2S/c1-5-31-19-29-17-21-18-32-34(25-10-8-24(30)9-11-25)27(21)16-23(29)14-15-33(20-29)37(35,36)26-12-6-22(7-13-26)28(2,3)4/h6-13,16,18,31H,5,14-15,17,19-20H2,1-4H3/t29-/m0/s1
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| InChIKey |
NJCFKWLXWYVKMY-LJAQVGFWSA-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