General Information of the Compound
| Compound ID |
CP0484429
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| Compound Name |
US9346829, 7
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2ccccn2)c2ccccc12
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| InChI |
InChI=1S/C22H23N3O3/c1-24-15-10-17(11-16(24)14-27-13-15)28-22(26)19-12-25(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3/t15-,16+,17-
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| InChIKey |
MVVLBJAZRQAGET-BJWYYQGGSA-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