General Information of the Compound
| Compound ID |
CP0564297
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| Compound Name |
US20230287003, Example 1h
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
CC1Nc2c(OCC1(C)C)c(=O)n(C)c1ccc(Nc3ccnc(Cl)c3C#N)cc21
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| InChI |
InChI=1S/C22H22ClN5O2/c1-12-22(2,3)11-30-19-18(26-12)14-9-13(5-6-17(14)28(4)21(19)29)27-16-7-8-25-20(23)15(16)10-24/h5-9,12,26H,11H2,1-4H3,(H,25,27)
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| InChIKey |
PPADEHLCGUTNFC-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