General Information of the Compound
| Compound ID |
CP0960189
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| Compound Name |
US9427428, 10
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| Structure |
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| Formula |
C42H50N8O8
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| Molecular Weight |
794.91
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| Canonical SMILES |
COCC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@H](CCOC)NC(=O)OC)[nH]c5c4)ccc3c2)[nH]1
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| InChI |
InChI=1S/C42H50N8O8/c1-55-19-15-31(47-41(53)57-3)39(51)49-17-5-7-35(49)37-43-24-34(46-37)29-12-11-25-21-26(9-10-27(25)22-29)28-13-14-30-33(23-28)45-38(44-30)36-8-6-18-50(36)40(52)32(16-20-56-2)48-42(54)58-4/h9-14,21-24,31-32,35-36H,5-8,15-20H2,1-4H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t31-,32-,35-,36-/m0/s1
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| InChIKey |
WINJNVDNYURKLF-VOIOCNMVSA-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