General Information of the Compound
| Compound ID |
CP0472207
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| Compound Name |
(3S)-4-[[(4S)-5-ethoxycarbonyl-4-(3-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
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| Structure |
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| Formula |
C23H25FN4O5S
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| Molecular Weight |
488.541
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(C)c(F)c1)c1nccs1
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| InChI |
InChI=1S/C23H25FN4O5S/c1-3-33-23(31)18-16(11-28-7-8-32-12-17(28)22(29)30)26-20(21-25-6-9-34-21)27-19(18)14-5-4-13(2)15(24)10-14/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,26,27)(H,29,30)/t17-,19-/m0/s1
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| InChIKey |
ZFVHOUHOZUFUMS-HKUYNNGSSA-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