General Information of the Compound
| Compound ID |
CP0854592
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| Compound Name |
US9394275, I-41
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| Structure |
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| Formula |
C51H56N6O6
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| Molecular Weight |
849.045
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| Canonical SMILES |
Cc1ccc(C(=O)Nc2ccc(CC(C)NC[C@H](C)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C51H56N6O6/c1-33-14-17-38(50(61)53-39-18-15-36(16-19-39)30-35(3)52-32-34(2)41-20-22-46(58)49-43(41)21-23-47(59)55-49)31-45(33)56(4)48(60)26-29-57-27-24-40(25-28-57)63-51(62)54-44-13-9-8-12-42(44)37-10-6-5-7-11-37/h5-23,31,34-35,40,52,58H,24-30,32H2,1-4H3,(H,53,61)(H,54,62)(H,55,59)/t34-,35?/m0/s1
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| InChIKey |
SYUPMXHVGHDVDI-SFCXHYMASA-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