General Information of the Compound
| Compound ID |
CP0450644
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| Compound Name |
US10028961, Compound 48
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| Structure |
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| Formula |
C19H24F3N7O
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| Molecular Weight |
423.443
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C(=O)N(C)C)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C19H24F3N7O/c1-10(12-8-9-12)23-17-26-15(13-6-5-7-14(25-13)19(20,21)22)27-18(28-17)24-11(2)16(30)29(3)4/h5-7,10-12H,8-9H2,1-4H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1
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| InChIKey |
GFSAAPLIWHCOTJ-GHMZBOCLSA-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