General Information of the Compound
| Compound ID |
CP0870553
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-butoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl)methyl)urea dihydrochloride
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| Structure |
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| Formula |
C36H52Cl2N4O3
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| Molecular Weight |
659.743
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| Canonical SMILES |
CCCCOc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2cccc(OC)c2)CC1.Cl.Cl
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| InChI |
InChI=1S/C36H50N4O3.2ClH/c1-7-8-20-43-33-15-10-9-14-32(33)40-18-16-36(17-19-40,27-12-11-13-29(21-27)42-6)24-38-35(41)39-34-30(25(2)3)22-28(37)23-31(34)26(4)5;;/h9-15,21-23,25-26H,7-8,16-20,24,37H2,1-6H3,(H2,38,39,41);2*1H
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| InChIKey |
AEMDMAOJXLQSNW-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