General Information of the Compound
| Compound ID |
CP0537256
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| Compound Name |
(3E,5E)-1-propan-2-yl-3,5-bis[(3,5,6-trimethylpyrazin-2-yl)methylidene]piperidin-4-one
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| Structure |
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| Formula |
C24H31N5O
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| Molecular Weight |
405.546
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| Canonical SMILES |
CC(C)N1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C
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| InChI |
InChI=1S/C24H31N5O/c1-13(2)29-11-20(9-22-18(7)25-14(3)16(5)27-22)24(30)21(12-29)10-23-19(8)26-15(4)17(6)28-23/h9-10,13H,11-12H2,1-8H3/b20-9+,21-10+
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| InChIKey |
ZRHLQGZAZUHZHX-VDEHPEQNSA-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