General Information of the Compound
| Compound ID |
CP0415717
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| Compound Name |
1-[1-[4-(2-aminoethoxy)-3-methoxyphenyl]ethyl]-3-[(4-tert-butylphenyl)methyl]thiourea
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| Structure |
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| Formula |
C23H33N3O2S
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| Molecular Weight |
415.603
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| Canonical SMILES |
COc1cc(ccc1OCCN)C(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H33N3O2S/c1-16(18-8-11-20(28-13-12-24)21(14-18)27-5)26-22(29)25-15-17-6-9-19(10-7-17)23(2,3)4/h6-11,14,16H,12-13,15,24H2,1-5H3,(H2,25,26,29)
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| InChIKey |
VLPAROWWHSRGPV-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