General Information of the Compound
| Compound ID |
CP0488710
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| Compound Name |
US9216182, 1.35
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| Structure |
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| Formula |
C19H28N4O3
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| Molecular Weight |
360.458
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| Canonical SMILES |
COc1ccc(nc1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CC1
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| InChI |
InChI=1S/C19H28N4O3/c1-25-17-4-5-18(20-14-17)22-8-6-16(7-9-22)26-19(24)23-12-10-21(11-13-23)15-2-3-15/h4-5,14-16H,2-3,6-13H2,1H3
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| InChIKey |
KCDQDBZCBXAPAT-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