General Information of the Compound
| Compound ID |
CP0193494
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| Compound Name |
4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-2-carbonitrile
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| Structure |
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| Formula |
C21H21N5O3S
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| Molecular Weight |
423.498
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| Canonical SMILES |
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]c(cc12)C#N)N1CCOCC1
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| InChI |
InChI=1S/C21H21N5O3S/c1-30(27,28)21(5-6-21)18-12-19(26-7-9-29-10-8-26)25-20(24-18)15-3-2-4-17-16(15)11-14(13-22)23-17/h2-4,11-12,23H,5-10H2,1H3
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| InChIKey |
AROIWXFWFXBIPR-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