General Information of the Compound
| Compound ID |
CP0959532
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| Compound Name |
US9427428, 7::US9433609, 7
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| Structure |
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| Formula |
C44H54N8O6
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| Molecular Weight |
790.966
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| Canonical SMILES |
COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)OC)[nH]c5c4)ccc3c2)[nH]1
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| InChI |
InChI=1S/C44H54N8O6/c1-25(2)19-34(49-43(55)57-5)41(53)51-17-7-9-37(51)39-45-24-36(48-39)31-14-13-27-21-28(11-12-29(27)22-31)30-15-16-32-33(23-30)47-40(46-32)38-10-8-18-52(38)42(54)35(20-26(3)4)50-44(56)58-6/h11-16,21-26,34-35,37-38H,7-10,17-20H2,1-6H3,(H,45,48)(H,46,47)(H,49,55)(H,50,56)/t34-,35-,37-,38-/m0/s1
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| InChIKey |
FXDKBKLJILRMGI-OVBQHIIOSA-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