General Information of the Compound
| Compound ID |
CP0487188
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| Compound Name |
CHEMBL4248472
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| Formula |
C25H35F2N5OS
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| Molecular Weight |
491.652
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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)C1CC(F)(F)C1)c1cccs1
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| InChI |
InChI=1S/C25H35F2N5OS/c1-15(2)23-30-29-16(3)32(23)20-11-18-6-7-19(12-20)31(18)9-8-21(22-5-4-10-34-22)28-24(33)17-13-25(26,27)14-17/h4-5,10,15,17-21H,6-9,11-14H2,1-3H3,(H,28,33)/t18-,19+,20-,21-/m0/s1
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| InChIKey |
HSULPXJNLYSWOX-WOZUAGRISA-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