General Information of the Compound
| Compound ID |
CP0550411
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| Compound Name |
CHEMBL5184753
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| Formula |
C16H16ClF3N8
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| Molecular Weight |
412.807
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| Canonical SMILES |
FC(F)(F)c1nccc(N[C@H]2CC[C@H](CC2)Nc2ccc3nnc(Cl)n3n2)n1
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| InChI |
InChI=1S/C16H16ClF3N8/c17-15-26-25-13-6-5-12(27-28(13)15)23-10-3-1-9(2-4-10)22-11-7-8-21-14(24-11)16(18,19)20/h5-10H,1-4H2,(H,23,27)(H,21,22,24)/t9-,10+
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| InChIKey |
ONWCUJRODWUZTD-AOOOYVTPSA-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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