General Information of the Compound
| Compound ID |
CP0188994
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| Compound Name |
US10336717, Compound 52
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| Structure |
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| Formula |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C25H28N4O2/c1-29-23(27)28-25(31-29)22-15-20(19-5-3-4-17(14-19)16-26)7-6-18(22)8-11-24(25)12-9-21(30-2)10-13-24/h3-7,14-15,21H,8-13H2,1-2H3,(H2,27,28)
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| InChIKey |
GKVATHUIORNBEJ-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