General Information of the Compound
| Compound ID |
CP0572411
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| Compound Name |
US8993565, 36
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| Structure |
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| Formula |
C19H22N4O3
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| Molecular Weight |
354.41
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc(c1)C1CC1
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| InChI |
InChI=1S/C19H22N4O3/c24-18(20-15-3-1-2-14(10-15)13-4-5-13)11-16-21-17(12-19(25)22-16)23-6-8-26-9-7-23/h1-3,10,12-13H,4-9,11H2,(H,20,24)(H,21,22,25)
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| InChIKey |
XZWZWBGVQDNQIA-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