General Information of the Compound
| Compound ID |
CP0556049
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| Compound Name |
US9278960, 4-61
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
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| InChI |
InChI=1S/C20H23N5O2/c1-13-10-25(5-6-27-13)11-14-3-4-16-17(15-9-22-24(2)12-15)8-19(20(21)26)23-18(16)7-14/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,21,26)/t13-/m1/s1
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| InChIKey |
SHBZCBBTFHWIIY-CYBMUJFWSA-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