General Information of the Compound
| Compound ID |
CP0529004
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| Compound Name |
US9434725, 144
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| Structure |
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| Formula |
C19H18N8
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| Molecular Weight |
358.409
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| Canonical SMILES |
C1CN(CCN1)c1cccc(n1)-n1ncc2cnc(cc12)-c1cnccn1
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| InChI |
InChI=1S/C19H18N8/c1-2-18(26-8-6-20-7-9-26)25-19(3-1)27-17-10-15(16-13-21-4-5-22-16)23-11-14(17)12-24-27/h1-5,10-13,20H,6-9H2
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| InChIKey |
SSVDHMHVZBAMPA-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