General Information of the Compound
| Compound ID |
CP0479634
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| Compound Name |
US9434725, 166
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| Structure |
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| Formula |
C21H21N7
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| Molecular Weight |
371.448
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CCNCC1
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| InChI |
InChI=1S/C21H21N7/c1-14-10-23-13-19(26-14)18-9-20-16(11-24-18)12-25-28(20)21-4-2-3-17(27-21)15-5-7-22-8-6-15/h2-4,9-13,15,22H,5-8H2,1H3
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| InChIKey |
CALQCAQZMQRBIJ-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