General Information of the Compound
| Compound ID |
CP0564360
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| Compound Name |
US9012651, 142
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| Structure |
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| Formula |
C18H22F3N3O
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| Molecular Weight |
353.388
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| Canonical SMILES |
CC(C)C[C@H](CO)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H22F3N3O/c1-12(2)9-16(11-25)23-10-15-7-8-22-17(24-15)13-3-5-14(6-4-13)18(19,20)21/h3-8,12,16,23,25H,9-11H2,1-2H3/t16-/m1/s1
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| InChIKey |
JMOUNGWQZPPXKP-MRXNPFEDSA-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