General Information of the Compound
| Compound ID |
CP0806773
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| Compound Name |
(cis)-4-ethylcyclohexyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Formula |
C20H25N3O5
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| Molecular Weight |
387.436
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| Canonical SMILES |
CC[C@H]1CC[C@@H](OC(=O)C2=C(C)NC(=O)NC2c2ccc([N+](=O)[O-])cc2)CC1
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| InChI |
InChI=1S/C20H25N3O5/c1-3-13-4-10-16(11-5-13)28-19(24)17-12(2)21-20(25)22-18(17)14-6-8-15(9-7-14)23(26)27/h6-9,13,16,18H,3-5,10-11H2,1-2H3,(H2,21,22,25)/t13-,16+,18?
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| InChIKey |
VMAFDRIMEKGECP-NPUFSNTDSA-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