General Information of the Compound
| Compound ID |
CP0442822
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| Compound Name |
US9216182, 1.46
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| Structure |
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| Formula |
C20H31N5O4
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| Molecular Weight |
405.499
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| Canonical SMILES |
COCC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)C(N)=O
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| InChI |
InChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26)
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| InChIKey |
AFRYPGHDTPQVRQ-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