General Information of the Compound
| Compound ID |
CP0469800
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| Compound Name |
US10336717, Compound 450
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| Structure |
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C25H23N5O2/c1-15-20-13-24(9-8-22(20)31-29-15)12-19-7-6-18(17-5-3-4-16(10-17)14-26)11-21(19)25(24)28-23(27)30(2)32-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28)
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| InChIKey |
YWAQHHYDNPPGGE-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