General Information of the Compound
| Compound ID |
CP0412486
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| Compound Name |
US10336717, Compound 107
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnn2)CC1
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| InChI |
InChI=1S/C21H25N5O2/c1-26-19(22)24-21(28-26)17-12-14(18-4-3-11-23-25-18)5-6-15(17)13-20(21)9-7-16(27-2)8-10-20/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,22,24)
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| InChIKey |
NJKPIMLATGKIER-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