General Information of the Compound
| Compound ID |
CP0540804
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| Compound Name |
(3S)-4-[[(4S)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
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| Structure |
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| Formula |
C22H21F3N4O5S
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| Molecular Weight |
510.494
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1cc(F)c(F)c(F)c1)c1nccs1
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| InChI |
InChI=1S/C22H21F3N4O5S/c1-2-34-22(32)16-14(9-29-4-5-33-10-15(29)21(30)31)27-19(20-26-3-6-35-20)28-18(16)11-7-12(23)17(25)13(24)8-11/h3,6-8,15,18H,2,4-5,9-10H2,1H3,(H,27,28)(H,30,31)/t15-,18-/m0/s1
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| InChIKey |
TZVJWNUEXGOQIO-YJBOKZPZSA-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