General Information of the Compound
| Compound ID |
CP0329228
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| Compound Name |
US10336717, Compound 37
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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(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1
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| InChI |
InChI=1S/C25H28N4O2/c1-29-23(26)28-25(31-29)21-13-17(18-4-3-16-9-12-27-22(16)14-18)5-6-19(21)15-24(25)10-7-20(30-2)8-11-24/h3-6,9,12-14,20,27H,7-8,10-11,15H2,1-2H3,(H2,26,28)
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| InChIKey |
MSKXYFUUPNXUFI-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