General Information of the Compound
| Compound ID |
CP0567315
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| Compound Name |
CHEMBL5094690
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| Formula |
C46H71F2N9O7
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| Molecular Weight |
900.126
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| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NCCc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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| InChI |
InChI=1S/C46H71F2N9O7/c1-32(2)44-55-54-39(18-24-52-43(61)31-64-30-42(60)51-23-11-6-4-5-10-22-50-41(59)29-63-28-40(58)49-3)57(44)37-26-35-14-15-36(27-37)56(35)25-19-38(33-12-8-7-9-13-33)53-45(62)34-16-20-46(47,48)21-17-34/h7-9,12-13,32,34-38H,4-6,10-11,14-31H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,62)/t35-,36+,37-,38-/m0/s1
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| InChIKey |
JQDZBUUIBWIGKU-NAQJMGRXSA-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