General Information of the Compound
| Compound ID |
CP0525268
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| Compound Name |
US9108947, 20
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1CCCN(C1)c1ccc(cn1)[N+]#[C-]
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| InChI |
InChI=1S/C22H24N4O3/c1-14-17(6-7-18-19(14)13-29-22(18)28)20(27)11-24-16-4-3-9-26(12-16)21-8-5-15(23-2)10-25-21/h5-8,10,16,20,24,27H,3-4,9,11-13H2,1H3/t16?,20-/m0/s1
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| InChIKey |
VIQHSFVRXXYYNC-FZCLLLDFSA-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