General Information of the Compound
| Compound ID |
CP0969930
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| Compound Name |
US9433609, 21
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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]1c1ncc(-c2ccc3cc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)nc5c4)ccc3c2)[nH]1
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| InChI |
InChI=1S/C43H52N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)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 |
KIRMHFYWOIIRRE-MVBIGSMVSA-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