General Information of the Compound
| Compound ID |
CP0518215
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| Compound Name |
US9079906, 230
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| Structure |
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| Formula |
C25H35N5O3
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| Molecular Weight |
453.587
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| Canonical SMILES |
CCOc1nn2c(nn(CC(=O)c3cc(cc(c3)C(C)(C)OC)C(C)(C)C)c2=N)c(C)c1C
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| InChI |
InChI=1S/C25H35N5O3/c1-10-33-22-16(3)15(2)21-27-29(23(26)30(21)28-22)14-20(31)17-11-18(24(4,5)6)13-19(12-17)25(7,8)32-9/h11-13,26H,10,14H2,1-9H3
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| InChIKey |
XOPLQYZPMYGTPL-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