General Information of the Compound
| Compound ID |
CP0065543
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| Compound Name |
US10689705, Compound 7
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| Structure |
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| Formula |
C26H25F2N7O
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| Molecular Weight |
489.53
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| Canonical SMILES |
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(CN4CCC(F)(F)CC4)cc3[nH]2)c1N
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| InChI |
InChI=1S/C26H25F2N7O/c1-15-31-20-5-4-18(12-22(20)32-15)35-25(29)19(13-30-35)24(36)23-11-17-3-2-16(10-21(17)33-23)14-34-8-6-26(27,28)7-9-34/h2-5,10-13,33H,6-9,14,29H2,1H3,(H,31,32)
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| InChIKey |
OTZMRUFJZIGILY-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