General Information of the Compound
| Compound ID |
CP0944780
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| Compound Name |
SID131411247
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| Structure |
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| Formula |
C38H47F3N4O7
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| Molecular Weight |
728.809
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C38H47F3N4O7/c1-24-19-45(25(2)22-46)36(47)31-18-30(43-37(48)42-29-11-9-28(10-12-29)38(39,40)41)13-15-32(31)52-26(3)7-5-6-16-49-35(24)21-44(4)20-27-8-14-33-34(17-27)51-23-50-33/h8-15,17-18,24-26,35,46H,5-7,16,19-23H2,1-4H3,(H2,42,43,48)/t24-,25-,26+,35+/m0/s1
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| InChIKey |
LZRMYYQDLQFCEK-YUAZXLJXSA-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