General Information of the Compound
| Compound ID |
CP0578327
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| Compound Name |
US20230287003, Example 1c
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
CCC1CCOc2c(N1)c1cc(Nc3ccnc(Cl)c3C#N)ccc1n(C)c2=O
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| InChI |
InChI=1S/C21H20ClN5O2/c1-3-12-7-9-29-19-18(26-12)14-10-13(4-5-17(14)27(2)21(19)28)25-16-6-8-24-20(22)15(16)11-23/h4-6,8,10,12,26H,3,7,9H2,1-2H3,(H,24,25)
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| InChIKey |
AIZFCBGYSFGUNU-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