General Information of the Compound
| Compound ID |
CP0574812
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| Compound Name |
US9212187, 43
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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 |
CCn1c2ccc(OCCCN(CCc3cccnc3)Cc3ccncc3)cc2ccc1=O
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| InChI |
InChI=1S/C27H30N4O2/c1-2-31-26-8-7-25(19-24(26)6-9-27(31)32)33-18-4-16-30(21-23-10-14-28-15-11-23)17-12-22-5-3-13-29-20-22/h3,5-11,13-15,19-20H,2,4,12,16-18,21H2,1H3
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| InChIKey |
QXNVBCWREUTXQS-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