General Information of the Compound
| Compound ID |
CP0456016
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| Compound Name |
US9212187, 16
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
Cn1c2ccc(OCCCCCN(Cc3cccnc3)Cc3cccnc3)cc2ccc1=O
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| InChI |
InChI=1S/C27H30N4O2/c1-30-26-11-10-25(17-24(26)9-12-27(30)32)33-16-4-2-3-15-31(20-22-7-5-13-28-18-22)21-23-8-6-14-29-19-23/h5-14,17-19H,2-4,15-16,20-21H2,1H3
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| InChIKey |
MWSCRAXWEHPWHN-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