General Information of the Compound
| Compound ID |
CP0488706
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| Compound Name |
US9216182, 1.3
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| Structure |
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| Formula |
C21H31N5O3
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| Molecular Weight |
401.511
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| Canonical SMILES |
NC(=O)c1ccc(nc1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C21H31N5O3/c22-20(27)16-5-6-19(23-15-16)25-9-7-18(8-10-25)29-21(28)26-13-11-24(12-14-26)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2,(H2,22,27)
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| InChIKey |
ITKLGGUUOSZXGH-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