General Information of the Compound
| Compound ID |
CP0554359
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| Compound Name |
CHEMBL4249941
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| Formula |
C28H41F2N5O2S
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| Molecular Weight |
549.732
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| Canonical SMILES |
COc1ccc(s1)[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/C28H41F2N5O2S/c1-17(2)26-33-32-18(3)35(26)22-15-20-5-6-21(16-22)34(20)14-11-23(24-7-8-25(37-4)38-24)31-27(36)19-9-12-28(29,30)13-10-19/h7-8,17,19-23H,5-6,9-16H2,1-4H3,(H,31,36)/t20-,21+,22-,23-/m0/s1
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| InChIKey |
NLNGAOLZOQFWCT-BJESRGMDSA-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