General Information of the Compound
| Compound ID |
CP0579271
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| Compound Name |
CHEMBL5200961
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| Formula |
C27H40FN5OS
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| Molecular Weight |
501.716
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)s1
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| InChI |
InChI=1S/C27H40FN5OS/c1-17(2)26-31-30-18(3)33(26)22-15-20-9-10-21(16-22)32(20)14-13-23(24-11-12-25(28)35-24)29-27(34)19-7-5-4-6-8-19/h11-12,17,19-23H,4-10,13-16H2,1-3H3,(H,29,34)/t20-,21+,22-,23-/m0/s1
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| InChIKey |
JOKPYJKZNAPVSV-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