General Information of the Compound
| Compound ID |
CP0969965
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| Compound Name |
US8993765, 22
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
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| InChI |
InChI=1S/C22H20N4O2/c27-22-13-18(28-15-16-4-2-1-3-5-16)8-11-25(22)17-7-10-26-20-14-23-9-6-19(20)24-21(26)12-17/h1-5,7-8,10-13,23H,6,9,14-15H2
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| InChIKey |
ZTDHSRYSNMWLGQ-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