General Information of the Compound
| Compound ID |
CP0923329
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| Compound Name |
US9427428, 5::US9433609, 5
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| Structure |
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| Formula |
C42H46N8O6
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| Molecular Weight |
758.88
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CC6)[nH]c5c4)ccc3c2)[nH]1)C1CC1
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| InChI |
InChI=1S/C42H46N8O6/c1-55-41(53)47-35(23-7-8-23)39(51)49-17-3-5-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-6-4-18-50(34)40(52)36(24-9-10-24)48-42(54)56-2/h11-16,19-24,33-36H,3-10,17-18H2,1-2H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
ZBRQMZCNYGNDTK-ZYADHFCISA-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