General Information of the Compound
| Compound ID |
CP0442483
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| Compound Name |
US9212153, 108,Ex. 74
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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)-c2ccnnc2)CC1
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| InChI |
InChI=1S/C21H25N5O2/c1-26-19(22)25-21(28-26)18-11-14(16-7-10-23-24-13-16)3-4-15(18)12-20(21)8-5-17(27-2)6-9-20/h3-4,7,10-11,13,17H,5-6,8-9,12H2,1-2H3,(H2,22,25)
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| InChIKey |
BYXKRPXQHBVBMW-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