General Information of the Compound
| Compound ID |
CP0110937
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| Compound Name |
US8575201, 154
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| Structure |
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| Formula |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)N1CCC(O)CC1
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| InChI |
InChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)
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| InChIKey |
UBBBCORMCZKJOS-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