General Information of the Compound
| Compound ID |
CP0506848
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| Compound Name |
US10336717, Compound 111
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cncc(OC)n2)CC1
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| InChI |
InChI=1S/C22H27N5O3/c1-27-20(23)26-22(30-27)17-10-14(18-12-24-13-19(25-18)29-3)4-5-15(17)11-21(22)8-6-16(28-2)7-9-21/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H2,23,26)
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| InChIKey |
FMHJEZRGCYHVJP-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