General Information of the Compound
| Compound ID |
CP0549500
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| Compound Name |
CHEMBL4761614
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| Formula |
C47H73F2N9O7
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| Molecular Weight |
914.153
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| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C47H73F2N9O7/c1-32(2)45-56-55-33(3)58(45)39-26-37-16-17-38(27-39)57(37)25-20-40(54-46(63)35-18-21-47(48,49)22-19-35)34-12-14-36(15-13-34)53-44(62)31-65-30-43(61)52-24-11-9-7-5-6-8-10-23-51-42(60)29-64-28-41(59)50-4/h12-15,32,35,37-40H,5-11,16-31H2,1-4H3,(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H,54,63)/t37-,38+,39+,40-/m0/s1
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| InChIKey |
FSTXIWXRPYKCFE-KQQMQGIYSA-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