General Information of the Compound
| Compound ID |
CP0542753
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| Compound Name |
US10278962, Compound 29
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| Structure |
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| Formula |
C23H27NO8
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| Molecular Weight |
445.468
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| Canonical SMILES |
CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
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| InChI |
InChI=1S/C23H27NO8/c1-12(25)30-11-22(2,29)14-7-15-20(27)19-17(32-23(15,3)18(26)8-14)9-16(31-21(19)28)13-5-4-6-24-10-13/h4-6,9-10,14-15,18,20,26-27,29H,7-8,11H2,1-3H3/t14-,15-,18-,20-,22+,23-/m1/s1
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| InChIKey |
DAMNHPBVADWBQN-NWEBNPNNSA-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