General Information of the Compound
| Compound ID |
CP0314494
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| Compound Name |
4-[2-(1H-benzimidazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C19H21N5O3S
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| Molecular Weight |
399.476
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| Canonical SMILES |
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]cnc12)N1CCOCC1
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| InChI |
InChI=1S/C19H21N5O3S/c1-28(25,26)19(5-6-19)15-11-16(24-7-9-27-10-8-24)23-18(22-15)13-3-2-4-14-17(13)21-12-20-14/h2-4,11-12H,5-10H2,1H3,(H,20,21)
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| InChIKey |
HPWJEDKQKWRJRP-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