General Information of the Compound
| Compound ID |
CP0476171
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| Compound Name |
4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-dimethyl-[(4-phenyldiazenylphenyl)methyl]azanium;bromide
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| Formula |
C22H25BrN4O2
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| Molecular Weight |
457.372
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| Canonical SMILES |
[Br-].C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(cc1)\N=N\c1ccccc1
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| InChI |
InChI=1S/C22H25N4O2.BrH/c1-26(2,15-6-7-16-27-22-14-17-28-25-22)18-19-10-12-21(13-11-19)24-23-20-8-4-3-5-9-20;/h3-5,8-13H,14-18H2,1-2H3;1H/q+1;/p-1/b24-23+;
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| InChIKey |
IVNFEKIBQWIHFT-XMXXDQCKSA-M
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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