General Information of the Compound
| Compound ID |
CP0485425
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| Compound Name |
CHEMBL4239790
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| Formula |
C27H34F5N5OS
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| Molecular Weight |
571.66
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| Canonical SMILES |
FC(F)(F)c1nnc(C2CC2)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1
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| InChI |
InChI=1S/C27H34F5N5OS/c28-26(29)9-5-17(6-10-26)24(38)33-22(18-8-12-39-15-18)7-11-36-19-3-4-20(36)14-21(13-19)37-23(16-1-2-16)34-35-25(37)27(30,31)32/h8,12,15-17,19-22H,1-7,9-11,13-14H2,(H,33,38)/t19-,20+,21-,22-/m0/s1
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| InChIKey |
BBOCMDNUKXGYBS-LRSLUSHPSA-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