General Information of the Compound
| Compound ID |
CP0466865
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| Compound Name |
US9079906, 168
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| Structure |
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| Formula |
C26H37N5O6
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| Molecular Weight |
515.611
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| Canonical SMILES |
CCOc1cc(c2nn(CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)c(=N)n2n1)C(C)(C)O
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| InChI |
InChI=1S/C26H37N5O6/c1-8-36-21-14-18(26(5,6)34)23-29-30(24(27)31(23)28-21)15-19(33)16-12-17(25(2,3)4)22(35-7)20(13-16)37-11-9-10-32/h12-14,27,32,34H,8-11,15H2,1-7H3
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| InChIKey |
NGTRJEIOYAVUFZ-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