General Information of the Compound
| Compound ID |
CP0920695
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| Compound Name |
US9328120, 29
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1
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| InChI |
InChI=1S/C19H21N5O2/c25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)/t13-,14-/m1/s1
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| InChIKey |
IVFWFHHENYUJLU-ZIAGYGMSSA-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