General Information of the Compound
| Compound ID |
CP0568233
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| Compound Name |
US9212187, 18
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| Structure |
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| Formula |
C29H33N3O2
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| Molecular Weight |
455.602
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| Canonical SMILES |
Cn1c2ccc(OCCCCCN(CCCc3ccccc3)c3cccnc3)cc2ccc1=O
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| InChI |
InChI=1S/C29H33N3O2/c1-31-28-16-15-27(22-25(28)14-17-29(31)33)34-21-7-3-6-19-32(26-13-8-18-30-23-26)20-9-12-24-10-4-2-5-11-24/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21H2,1H3
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| InChIKey |
JKOPUDKTHFVPQX-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