General Information of the Compound
| Compound ID |
CP0928195
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| Compound Name |
US9328120, 3
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| Structure |
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| Formula |
C17H19N5O3
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| Molecular Weight |
341.371
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| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@H]2c2ncco2)nc2c1cnn2C1CCOCC1
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| InChI |
InChI=1S/C17H19N5O3/c23-16-13-9-19-22(10-3-6-24-7-4-10)15(13)20-14(21-16)11-1-2-12(11)17-18-5-8-25-17/h5,8-12H,1-4,6-7H2,(H,20,21,23)/t11-,12-/m1/s1
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| InChIKey |
DTCRZGKZSDYJBC-VXGBXAGGSA-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