General Information of the Compound
| Compound ID |
CP0573650
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| Compound Name |
(3E,5E)-1-methyl-3,5-bis[(3,5,6-trimethylpyrazin-2-yl)methylidene]piperidin-4-one
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
CN1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C
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| InChI |
InChI=1S/C22H27N5O/c1-12-14(3)25-20(16(5)23-12)8-18-10-27(7)11-19(22(18)28)9-21-17(6)24-13(2)15(4)26-21/h8-9H,10-11H2,1-7H3/b18-8+,19-9+
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| InChIKey |
CRTFPNCZXZINQK-GCBPPVMSSA-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