General Information of the Compound
| Compound ID |
CP0416252
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| Compound Name |
CHEMBL4560045
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| Formula |
C48H58F3N7O9
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| Molecular Weight |
934.026
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| Canonical SMILES |
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOCCOc4ccc5C(=O)N(C6CCCNC6=O)C(=O)c5c4)CC3)ccc12
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| InChI |
InChI=1S/C48H58F3N7O9/c49-48(50,51)35-4-1-3-34(28-35)43(60)54-47-53-40-27-33(8-13-41(40)57(47)36-9-6-32(31-59)7-10-36)30-56-17-15-55(16-18-56)19-20-64-21-22-65-23-24-66-25-26-67-37-11-12-38-39(29-37)46(63)58(45(38)62)42-5-2-14-52-44(42)61/h1,3-4,8,11-13,27-29,32,36,42,59H,2,5-7,9-10,14-26,30-31H2,(H,52,61)(H,53,54,60)/t32-,36+,42?
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| InChIKey |
XJMXTQCHRXGPQU-MYPICKRYSA-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