General Information of the Compound
| Compound ID |
CP0459052
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| Compound Name |
US10278962, Compound 14
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| Structure |
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| Formula |
C29H26N2O8
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| Molecular Weight |
530.533
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| Canonical SMILES |
CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
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| InChI |
InChI=1S/C29H26N2O8/c1-28(36,15-37-26(34)17-7-5-16(13-30)6-8-17)19-10-20-25(33)24-22(39-29(20,2)23(32)11-19)12-21(38-27(24)35)18-4-3-9-31-14-18/h3-9,12,14,19-20,23,32,36H,10-11,15H2,1-2H3/t19-,20-,23-,28?,29-/m0/s1
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| InChIKey |
HXFVTRKRSBCWFS-UKGGDCOSSA-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