General Information of the Compound
| Compound ID |
CP0564893
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| Compound Name |
US9434725, 302
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| Structure |
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| Formula |
C22H22N8O
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| Molecular Weight |
414.473
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C(=O)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C22H22N8O/c1-14-9-24-12-19(27-14)18-8-20-15(10-25-18)11-26-30(20)21-6-2-5-17(28-21)22(31)29-7-3-4-16(23)13-29/h2,5-6,8-12,16H,3-4,7,13,23H2,1H3/t16-/m0/s1
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| InChIKey |
FZTSRAGTHKAPKA-INIZCTEOSA-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