General Information of the Compound
| Compound ID |
CP0554360
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| Compound Name |
CHEMBL4237964
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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)C1CCC(F)CC1)c1cccs1
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| InChI |
InChI=1S/C27H40FN5OS/c1-17(2)26-31-30-18(3)33(26)23-15-21-10-11-22(16-23)32(21)13-12-24(25-5-4-14-35-25)29-27(34)19-6-8-20(28)9-7-19/h4-5,14,17,19-24H,6-13,15-16H2,1-3H3,(H,29,34)/t19?,20?,21-,22+,23-,24-/m0/s1
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| InChIKey |
ADEROMSHHZLAEE-DLDWUFQQSA-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