General Information of the Compound
| Compound ID |
CP0119549
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| Compound Name |
US10005782, Compound 94
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
COc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C23H23N5O3/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)14-8-10-15(31-2)11-9-14/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)
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| InChIKey |
CSSULGIISNOHGK-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