General Information of the Compound
| Compound ID |
CP0959846
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| Compound Name |
US9328120, 26
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| Structure |
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| Formula |
C19H17N7O
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| Molecular Weight |
359.393
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| Canonical SMILES |
Cc1ccncc1-n1ncc2c(=O)[nH]c([C@@H]3CC[C@H]3c3ncccn3)nc21
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| InChI |
InChI=1S/C19H17N7O/c1-11-5-8-20-10-15(11)26-18-14(9-23-26)19(27)25-17(24-18)13-4-3-12(13)16-21-6-2-7-22-16/h2,5-10,12-13H,3-4H2,1H3,(H,24,25,27)/t12-,13-/m1/s1
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| InChIKey |
QKQITTYGLPXNKK-CHWSQXEVSA-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