General Information of the Compound
| Compound ID |
CP0155996
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| Compound Name |
(S)-1-(3-(1-(4-(1H-tetrazol-5-yl)benzylamino)propan-2-yl)-2-(3,5-dimethylphenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone
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| Structure |
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| Formula |
C35H35F4N7O
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| Molecular Weight |
645.705
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| Canonical SMILES |
C[C@H](CNCc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C35H35F4N7O/c1-20-13-21(2)15-25(14-20)33-32(22(3)17-40-18-23-7-9-24(10-8-23)34-42-44-45-43-34)27-19-46(12-11-30(27)41-33)31(47)16-26-28(35(37,38)39)5-4-6-29(26)36/h4-10,13-15,22,40-41H,11-12,16-19H2,1-3H3,(H,42,43,44,45)/t22-/m1/s1
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| InChIKey |
VALATONXOTZEAD-JOCHJYFZSA-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