General Information of the Compound
| Compound ID |
CP0497641
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| Compound Name |
US9469631, 14
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
O=C(OCC1CCOCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C25H31N3O5/c29-24(20-3-1-19(2-4-20)23-15-26-17-33-23)28(21-5-6-21)22-7-11-27(12-8-22)25(30)32-16-18-9-13-31-14-10-18/h1-4,15,17-18,21-22H,5-14,16H2
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| InChIKey |
INFUXYKWCAXBGS-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