General Information of the Compound
| Compound ID |
CP0556509
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| Compound Name |
US10000468, Example 18
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| Structure |
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| Formula |
C26H34F3N7O
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| Molecular Weight |
517.6
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| Canonical SMILES |
CC(C)Nc1nc(C(=O)N(C)CCN(C)C)c(nc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C#N
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| InChI |
InChI=1S/C26H34F3N7O/c1-16(2)31-24-25(32-21(15-30)23(33-24)26(37)35(5)13-12-34(3)4)36-10-8-17(9-11-36)22(29)19-7-6-18(27)14-20(19)28/h6-7,14,16-17,22H,8-13H2,1-5H3,(H,31,33)/t22-/m1/s1
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| InChIKey |
XMAPSZNPQICXRL-JOCHJYFZSA-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