General Information of the Compound
| Compound ID |
CP0527345
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| Compound Name |
US10336717, Compound 185
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| Structure |
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| Formula |
C24H25F3N4O2
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| Molecular Weight |
458.484
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H25F3N4O2/c1-31-20(32)23(30-21(31)28)19-10-14(16-9-17(13-29-12-16)24(25,26)27)3-4-15(19)11-22(23)7-5-18(33-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,28,30)
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| InChIKey |
JMEQARWSZRJUJJ-UHFFFAOYSA-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