General Information of the Compound
| Compound ID |
CP0324960
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| Compound Name |
US9388171, I-30
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| Structure |
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| Formula |
C22H22ClFN4O2
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| Molecular Weight |
428.895
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| Canonical SMILES |
Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl
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| InChI |
InChI=1S/C22H22ClFN4O2/c23-17-3-1-14(11-18(17)24)5-8-25-22(29)19-4-2-15-13-26-21(12-20(15)28-19)27-16-6-9-30-10-7-16/h1-4,11-13,16H,5-10H2,(H,25,29)(H,26,27)
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| InChIKey |
QDULKFTXPAMMHU-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