General Information of the Compound
| Compound ID |
CP0083241
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| Compound Name |
US10399979, Compound 17a
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC
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| InChI |
InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)
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| InChIKey |
WNRXTALSWGUQLZ-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