General Information of the Compound
| Compound ID |
CP0415490
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| Compound Name |
US9505765, 39
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| Structure |
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| Formula |
C14H18N4O2
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| Molecular Weight |
274.324
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| Canonical SMILES |
CNC(=O)\C=C\c1c[nH]c2ncnc(OCC(C)C)c12
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| InChI |
InChI=1S/C14H18N4O2/c1-9(2)7-20-14-12-10(4-5-11(19)15-3)6-16-13(12)17-8-18-14/h4-6,8-9H,7H2,1-3H3,(H,15,19)(H,16,17,18)/b5-4+
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| InChIKey |
RQFOIAOPEILIMX-SNAWJCMRSA-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