General Information of the Compound
| Compound ID |
CP0443679
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| Compound Name |
US8637507, B-13
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| Structure |
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| Formula |
C26H35N3O5
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| Molecular Weight |
469.582
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| Canonical SMILES |
CCCCCCNC(=O)N1CC(C)Oc2cc(ccc12)-c1ccc(OCC(C)(C)C(O)=O)nc1
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| InChI |
InChI=1S/C26H35N3O5/c1-5-6-7-8-13-27-25(32)29-16-18(2)34-22-14-19(9-11-21(22)29)20-10-12-23(28-15-20)33-17-26(3,4)24(30)31/h9-12,14-15,18H,5-8,13,16-17H2,1-4H3,(H,27,32)(H,30,31)
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| InChIKey |
PQRSIHMWCUWSKI-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