General Information of the Compound
| Compound ID |
CP0479519
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-3-tri(propan-2-yl)silylprop-2-ynamide
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| Formula |
C33H41ClN2O3SSi
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| Molecular Weight |
609.308
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| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
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| InChI |
InChI=1S/C33H41ClN2O3SSi/c1-23(2)41(24(3)4,25(5)6)21-18-31(37)36(27-15-16-29(39-7)28(34)22-27)32(30-14-11-20-40-30)33(38)35-19-17-26-12-9-8-10-13-26/h8-16,20,22-25,32H,17,19H2,1-7H3,(H,35,38)
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| InChIKey |
QVKXKAHQHCVJDI-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