General Information of the Compound
| Compound ID |
CP0552005
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| Compound Name |
CHEMBL5199890
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| Formula |
C17H19F3N8S
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| Molecular Weight |
424.456
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| Canonical SMILES |
CSc1nnc2ccc(N[C@@H]3CC[C@@H](CC3)Nc3ccnc(n3)C(F)(F)F)nn12
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| InChI |
InChI=1S/C17H19F3N8S/c1-29-16-26-25-14-7-6-13(27-28(14)16)23-11-4-2-10(3-5-11)22-12-8-9-21-15(24-12)17(18,19)20/h6-11H,2-5H2,1H3,(H,23,27)(H,21,22,24)/t10-,11+
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| InChIKey |
GMKXJHWPZHQJQM-PHIMTYICSA-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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