General Information of the Compound
| Compound ID |
CP0130828
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| Compound Name |
(3R)-3-ethyl-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
CC[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H26N4O3S/c1-3-15-14-29-12-11-26(15)20-13-19(22(8-9-22)30(2,27)28)24-21(25-20)17-5-4-6-18-16(17)7-10-23-18/h4-7,10,13,15,23H,3,8-9,11-12,14H2,1-2H3/t15-/m1/s1
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| InChIKey |
IPEFLCUWGQVWOL-OAHLLOKOSA-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