General Information of the Compound
| Compound ID |
CP0500219
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| Compound Name |
US9133168, Example 15d
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| Structure |
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| Formula |
C21H23ClN4O3
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| Molecular Weight |
414.893
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| Canonical SMILES |
Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)n1C1CC1)N1CCOCC1
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| InChI |
InChI=1S/C21H23ClN4O3/c22-16-2-1-3-17-15(16)6-7-25(17)20(27)13-19-23-18(24-8-10-29-11-9-24)12-21(28)26(19)14-4-5-14/h1-3,12,14H,4-11,13H2
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| InChIKey |
WUSXRVTXKQMGGM-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