General Information of the Compound
| Compound ID |
CP0515031
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| Compound Name |
US9079906, 26
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| Structure |
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| Formula |
C26H35N5O3
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| Molecular Weight |
465.598
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| Canonical SMILES |
CCC(CC)Oc1ccc2nn(CC(=O)c3cc(OCC4CC4)cc(c3)C(C)(C)C)c(=N)n2n1
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| InChI |
InChI=1S/C26H35N5O3/c1-6-20(7-2)34-24-11-10-23-28-30(25(27)31(23)29-24)15-22(32)18-12-19(26(3,4)5)14-21(13-18)33-16-17-8-9-17/h10-14,17,20,27H,6-9,15-16H2,1-5H3
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| InChIKey |
CEMBYTGLEHDREZ-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