General Information of the Compound
| Compound ID |
CP0913788
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| Compound Name |
US9433609, 20
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| Structure |
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| Formula |
C43H52N8O7
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| Molecular Weight |
792.938
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@@H]1c1nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@H](C)OC)[nH]5)ccc4c3)cc2[nH]1
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| InChI |
InChI=1S/C43H52N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)51-19-9-11-35(51)39-45-31-17-16-29(22-32(31)46-39)27-12-13-28-21-30(15-14-26(28)20-27)33-23-44-38(47-33)34-10-8-18-50(34)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,44,47)(H,45,46)(H,48,54)(H,49,55)/t24-,25-,34-,35+,36-,37-/m0/s1
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| InChIKey |
MWXCHVLPDKGEDG-JOWBIXCGSA-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