General Information of the Compound
| Compound ID |
CP0103701
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| Compound Name |
1-[4-[4-(2-aminopyridin-4-yl)butoxy]-3-methoxyphenyl]-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C24H32N6O2S
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| Molecular Weight |
468.627
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| Canonical SMILES |
COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1
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| InChI |
InChI=1S/C24H32N6O2S/c1-18-16-26-17-30(18)12-5-10-28-24(33)29-20-7-8-21(22(15-20)31-2)32-13-4-3-6-19-9-11-27-23(25)14-19/h7-9,11,14-17H,3-6,10,12-13H2,1-2H3,(H2,25,27)(H2,28,29,33)
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| InChIKey |
MXAZSKBTKUGBLI-UHFFFAOYSA-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