General Information of the Compound
| Compound ID |
CP0549881
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| Compound Name |
US9216182, 1.14
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| Structure |
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| Formula |
C21H32N4O4
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| Molecular Weight |
404.511
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| Canonical SMILES |
CCOC(=O)c1ccc(nc1)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C21H32N4O4/c1-4-28-20(26)17-5-6-19(22-15-17)24-9-7-18(8-10-24)29-21(27)25-13-11-23(12-14-25)16(2)3/h5-6,15-16,18H,4,7-14H2,1-3H3
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| InChIKey |
FQBIUOPNFOMLPU-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