General Information of the Compound
| Compound ID |
CP0282713
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| Compound Name |
1-((5-(cyclopropylethynyl)pyridin-3-yl)methyl)-3-isopropyl-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C30H29N3O
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| Molecular Weight |
447.582
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| Canonical SMILES |
CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cncc(c1)C#CC1CC1
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| InChI |
InChI=1S/C30H29N3O/c1-23(2)32-30(34)33(22-29-18-27(19-31-20-29)16-14-25-11-12-25)21-28-10-6-9-26(17-28)15-13-24-7-4-3-5-8-24/h3-10,17-20,23,25H,11-12,21-22H2,1-2H3,(H,32,34)
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| InChIKey |
BIEAORVOZZBQGI-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