General Information of the Compound
| Compound ID |
CP0404754
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| Compound Name |
4-[6-(1-methylsulfonylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)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)-c1ccnc2[nH]ccc12)N1CCOCC1
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| InChI |
InChI=1S/C19H21N5O3S/c1-28(25,26)19(4-5-19)15-12-16(24-8-10-27-11-9-24)23-18(22-15)14-3-7-21-17-13(14)2-6-20-17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,21)
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| InChIKey |
AHPDAELLEBXGHK-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