General Information of the Compound
| Compound ID |
CP0559096
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| Compound Name |
US10028961, Compound 322
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| Structure |
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| Formula |
C20H24F3N5O
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| Molecular Weight |
407.44
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(OC(F)(F)F)c1)C1CC1
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| InChI |
InChI=1S/C20H24F3N5O/c1-11(13-6-7-13)24-18-26-17(27-19(28-18)25-12(2)14-8-9-14)15-4-3-5-16(10-15)29-20(21,22)23/h3-5,10-14H,6-9H2,1-2H3,(H2,24,25,26,27,28)/t11-,12-/m1/s1
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| InChIKey |
RTLORKKPLAXBLK-VXGBXAGGSA-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