General Information of the Compound
| Compound ID |
CP0443054
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| Compound Name |
US10336717, Compound 136
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| Structure |
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| Formula |
C25H28ClN3O2
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| Molecular Weight |
437.971
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| Canonical SMILES |
CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H28ClN3O2/c1-3-29-22(30)25(28-23(29)27)21-14-17(16-5-4-6-19(26)13-16)7-8-18(21)15-24(25)11-9-20(31-2)10-12-24/h4-8,13-14,20H,3,9-12,15H2,1-2H3,(H2,27,28)
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| InChIKey |
UUGYFDSQYNYLOD-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