General Information of the Compound
| Compound ID |
CP0442820
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| Compound Name |
US9216182, 1.41
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| Structure |
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| Formula |
C23H35N5O3
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| Molecular Weight |
429.565
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)C(=O)NC1CCC1
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| InChI |
InChI=1S/C23H35N5O3/c1-17(2)26-12-14-28(15-13-26)23(30)31-20-8-10-27(11-9-20)21-7-6-18(16-24-21)22(29)25-19-4-3-5-19/h6-7,16-17,19-20H,3-5,8-15H2,1-2H3,(H,25,29)
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| InChIKey |
AUXPGOKPINWATC-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