General Information of the Compound
| Compound ID |
CP0909845
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| Compound Name |
US9427428, 15
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| Structure |
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| Formula |
C46H54N8O6
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| Molecular Weight |
814.988
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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)C6CCCC6)[nH]c5c4)ccc3c2)[nH]1)C1CCCC1
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| InChI |
InChI=1S/C46H54N8O6/c1-59-45(57)51-39(27-9-3-4-10-27)43(55)53-21-7-13-37(53)41-47-26-36(50-41)33-18-17-29-23-30(15-16-31(29)24-33)32-19-20-34-35(25-32)49-42(48-34)38-14-8-22-54(38)44(56)40(52-46(58)60-2)28-11-5-6-12-28/h15-20,23-28,37-40H,3-14,21-22H2,1-2H3,(H,47,50)(H,48,49)(H,51,57)(H,52,58)/t37-,38-,39-,40-/m0/s1
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| InChIKey |
QHRSUKVLIQSUOH-YKKXUYLKSA-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