General Information of the Compound
| Compound ID |
CP0537582
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| Compound Name |
N-propyl-N-(1-thiophen-2-ylcyclopropyl)-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H27N3O3S
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| Molecular Weight |
425.554
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| Canonical SMILES |
CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1cccs1
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| InChI |
InChI=1S/C23H27N3O3S/c1-5-12-26(23(9-10-23)20-7-6-13-30-20)22-24-11-8-17(25-22)21-18(28-3)14-16(27-2)15-19(21)29-4/h6-8,11,13-15H,5,9-10,12H2,1-4H3
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| InChIKey |
BBVBVFFELLROLS-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