General Information of the Compound
| Compound ID |
CP0081366
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| Compound Name |
8-[6-(1-methylsulfonylcyclopropyl)-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane
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| Structure |
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| Formula |
C21H23N5O3S
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| Molecular Weight |
425.514
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| Canonical SMILES |
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cncc2[nH]ccc12)N1C2CCC1COC2
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| InChI |
InChI=1S/C21H23N5O3S/c1-30(27,28)21(5-6-21)18-8-19(26-13-2-3-14(26)12-29-11-13)25-20(24-18)16-9-22-10-17-15(16)4-7-23-17/h4,7-10,13-14,23H,2-3,5-6,11-12H2,1H3
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| InChIKey |
ZFKMUEUDOZOGQT-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