General Information of the Compound
| Compound ID |
CP0335726
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| Compound Name |
3-bromanyl-N-[(2S)-1-[(3R,6R)-6-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-4-methyl-benzamide
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| Structure |
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| Formula |
C30H33BrN4O2
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| Molecular Weight |
561.524
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| Canonical SMILES |
C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1
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| InChI |
InChI=1S/C30H33BrN4O2/c1-20-8-11-24(16-28(20)31)29(37)33-21(2)18-34-26(15-23-9-12-27(36)13-10-23)19-35-25(17-32-30(34)35)14-22-6-4-3-5-7-22/h3-13,16,21,25-26,36H,14-15,17-19H2,1-2H3,(H,33,37)/t21-,25+,26+/m0/s1
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| InChIKey |
FYUVNCKPPAQUEO-RMUDUWAUSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8