General Information of the Compound
| Compound ID |
CP0915099
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| Compound Name |
(4S)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C18H19N3O2S2
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| Molecular Weight |
373.503
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| Canonical SMILES |
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccs1
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| InChI |
InChI=1S/C18H19N3O2S2/c1-3-23-13-8-5-4-7-12(13)20-17(22)15-11(2)19-18(24)21-16(15)14-9-6-10-25-14/h4-10,16H,3H2,1-2H3,(H,20,22)(H2,19,21,24)/t16-/m1/s1
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| InChIKey |
PUMCLQFZOLPQOB-MRXNPFEDSA-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