General Information of the Compound
| Compound ID |
CP0572583
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| Compound Name |
US10954240, Example 17
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
COc1ccncc1-c1ccc2cnn(-c3ccnc(c3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C22H21N5O2/c1-28-21-5-6-23-15-19(21)16-2-3-17-14-25-27(20(17)12-16)18-4-7-24-22(13-18)26-8-10-29-11-9-26/h2-7,12-15H,8-11H2,1H3
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| InChIKey |
JBEFOEVPCXACOV-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