General Information of the Compound
| Compound ID |
CP0903192
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| Compound Name |
US9427428, 12::US9433609, 12
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| Structure |
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| Formula |
C46H54N8O8
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| Molecular Weight |
846.986
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| Canonical SMILES |
COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)C(NC(=O)OC)C6CCOCC6)[nH]c5c4)ccc3c2)[nH]1)C1CCOCC1
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| InChI |
InChI=1S/C46H54N8O8/c1-59-45(57)51-39(27-13-19-61-20-14-27)43(55)53-17-3-5-37(53)41-47-26-36(50-41)33-10-9-29-23-30(7-8-31(29)24-33)32-11-12-34-35(25-32)49-42(48-34)38-6-4-18-54(38)44(56)40(52-46(58)60-2)28-15-21-62-22-16-28/h7-12,23-28,37-40H,3-6,13-22H2,1-2H3,(H,47,50)(H,48,49)(H,51,57)(H,52,58)/t37-,38-,39?,40?/m0/s1
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| InChIKey |
IUCSKNNJNLCPSX-HOBVWGGUSA-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