General Information of the Compound
| Compound ID |
CP0949310
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| Compound Name |
1-amino-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxamido]-3-oxa-pentane
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| Structure |
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| Formula |
C18H26N4O4S
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| Molecular Weight |
394.497
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| Canonical SMILES |
CC1=C(C(=O)NCCOCCOCCN)C(c2cccc(O)c2)NC(=S)N1
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| InChI |
InChI=1S/C18H26N4O4S/c1-12-15(17(24)20-6-8-26-10-9-25-7-5-19)16(22-18(27)21-12)13-3-2-4-14(23)11-13/h2-4,11,16,23H,5-10,19H2,1H3,(H,20,24)(H2,21,22,27)
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| InChIKey |
IPQUUOBGQFXZQP-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