General Information of the Compound
| Compound ID |
CP0542009
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| Compound Name |
US8629158, 22
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
O=c1cc(OCc2ccccn2)ccn1-c1ccc2c3C4CCC(Cc3[nH]c2c1)N4
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| InChI |
InChI=1S/C24H22N4O2/c29-23-13-18(30-14-16-3-1-2-9-25-16)8-10-28(23)17-5-6-19-21(12-17)27-22-11-15-4-7-20(26-15)24(19)22/h1-3,5-6,8-10,12-13,15,20,26-27H,4,7,11,14H2
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| InChIKey |
SLXNKWWXFIZAFV-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