General Information of the Compound
| Compound ID |
CP0543917
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| Compound Name |
CHEMBL4447648
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| Formula |
C46H52F3N7O9
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| Molecular Weight |
903.956
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| Canonical SMILES |
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12
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| InChI |
InChI=1S/C46H52F3N7O9/c47-46(48,49)32-3-1-2-31(25-32)41(59)52-45-50-37-24-30(6-11-38(37)55(45)33-7-4-29(28-57)5-8-33)27-54-16-14-53(15-17-54)18-19-63-20-21-64-22-23-65-34-9-10-35-36(26-34)44(62)56(43(35)61)39-12-13-40(58)51-42(39)60/h1-3,6,9-11,24-26,29,33,39,57H,4-5,7-8,12-23,27-28H2,(H,50,52,59)(H,51,58,60)/t29-,33+,39?
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| InChIKey |
MBTFTXKNEPGJDJ-IYNWFLGGSA-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