General Information of the Compound
| Compound ID |
CP0561588
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| Compound Name |
US9315518, 18-10
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| Structure |
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| Formula |
C25H37N7O2
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| Molecular Weight |
467.618
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)CCn1cncn1
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| InChI |
InChI=1S/C25H37N7O2/c1-24(2,3)14-32-19-8-7-18(28-22(19)30(6)23(32)34)17-9-11-25(4,5)20(13-17)29-21(33)10-12-31-16-26-15-27-31/h7-8,15-17,20H,9-14H2,1-6H3,(H,29,33)
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| InChIKey |
DZSHFSKDHKEPOI-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