General Information of the Compound
| Compound ID |
CP0512594
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| Compound Name |
US9315498, 164
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| Structure |
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| Formula |
C18H18N4O
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| Molecular Weight |
306.369
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| Canonical SMILES |
CC1(C)CCN(C(=O)N1)c1cnc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C18H18N4O/c1-18(2)10-11-22(17(23)21-18)16-13-19-15(12-20-16)9-8-14-6-4-3-5-7-14/h3-7,12-13H,10-11H2,1-2H3,(H,21,23)
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| InChIKey |
CDLJCCPBUAVWSC-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