General Information of the Compound
| Compound ID |
CP0961911
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| Compound Name |
US8993765, 18
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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-c1ccc2c(c1)nc1n2CCNC1
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| InChI |
InChI=1S/C22H20N4O2/c27-22-13-18(28-15-16-4-2-1-3-5-16)8-10-25(22)17-6-7-20-19(12-17)24-21-14-23-9-11-26(20)21/h1-8,10,12-13,23H,9,11,14-15H2
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| InChIKey |
CZTXLWOOVRACHH-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