General Information of the Compound
| Compound ID |
CP0537017
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| Compound Name |
US9278960, 4-130
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC4(CC4)CC3)ccc12)C(N)=O
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| InChI |
InChI=1S/C22H25N5O/c1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(2-3-17(18)19)13-27-8-6-22(4-5-22)7-9-27/h2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28)
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| InChIKey |
FCFSGHKXMYMUSV-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