General Information of the Compound
| Compound ID |
CP0478769
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| Compound Name |
US9216182, 1.69
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| Structure |
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| Formula |
C19H29N5O3
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| Molecular Weight |
375.473
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| Canonical SMILES |
COc1ccc(nn1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C19H29N5O3/c1-26-18-6-5-17(20-21-18)23-9-7-16(8-10-23)27-19(25)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3
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| InChIKey |
FWXAFACMMYIRLH-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