General Information of the Compound
| Compound ID |
CP0536004
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| Compound Name |
US9434725, 298
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| Structure |
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| Formula |
C21H21N7O
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| Molecular Weight |
387.447
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCC[C@@H](O)C1
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| InChI |
InChI=1S/C21H21N7O/c1-14-9-22-12-18(25-14)17-8-19-15(10-23-17)11-24-28(19)21-6-2-5-20(26-21)27-7-3-4-16(29)13-27/h2,5-6,8-12,16,29H,3-4,7,13H2,1H3/t16-/m1/s1
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| InChIKey |
QEULBJUCNBXCDE-MRXNPFEDSA-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