General Information of the Compound
| Compound ID |
CP0485422
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| Compound Name |
CHEMBL4241066
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| Formula |
C28H41F2N5OS
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| Molecular Weight |
533.733
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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)(F)CC1)c1cscc1C
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| InChI |
InChI=1S/C28H41F2N5OS/c1-17(2)26-33-32-19(4)35(26)23-13-21-5-6-22(14-23)34(21)12-9-25(24-16-37-15-18(24)3)31-27(36)20-7-10-28(29,30)11-8-20/h15-17,20-23,25H,5-14H2,1-4H3,(H,31,36)/t21-,22+,23-,25-/m0/s1
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| InChIKey |
TYWBPHRPKOBRHM-AANQFLQQSA-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