General Information of the Compound
| Compound ID |
CP0893177
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| Compound Name |
(4-((2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl)methyl)piperazin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
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| Structure |
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| Formula |
C26H30ClN5O2
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| Molecular Weight |
480.012
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| Canonical SMILES |
O=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
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| InChI |
InChI=1S/C26H30ClN5O2/c27-21-5-3-19(4-6-21)25-23(32-16-22(18-1-2-18)28-15-24(32)29-25)17-30-9-11-31(12-10-30)26(33)20-7-13-34-14-8-20/h3-6,15-16,18,20H,1-2,7-14,17H2
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| InChIKey |
WBHSWQGEGHFEDF-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