General Information of the Compound
| Compound ID |
CP0561675
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| Compound Name |
US9469631, 51
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| Structure |
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| Formula |
C23H30N4O3
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| Molecular Weight |
410.518
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1ccnc1C
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| InChI |
InChI=1S/C23H30N4O3/c1-16(2)30-23(29)25-13-10-21(11-14-25)27(20-8-9-20)22(28)18-4-6-19(7-5-18)26-15-12-24-17(26)3/h4-7,12,15-16,20-21H,8-11,13-14H2,1-3H3
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| InChIKey |
PMFDTWMHVRTEMZ-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