General Information of the Compound
| Compound ID |
CP0321887
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| Compound Name |
US10336717, Compound 69
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CN1OC2(CC3(CCOCC3)c3ccc(cc23)-c2cccc(c2)C#N)N=C1N
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| InChI |
InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)14-21(7-9-27-10-8-21)18-6-5-17(12-19(18)22)16-4-2-3-15(11-16)13-23/h2-6,11-12H,7-10,14H2,1H3,(H2,24,25)
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| InChIKey |
DGVFBBOFIWQCGC-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