General Information of the Compound
| Compound ID |
CP0556017
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| Compound Name |
US9315498, 73
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccnc1
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| InChI |
InChI=1S/C18H17N3O2/c1-18(2)9-11-21(17(22)23-18)16-8-7-15(13-20-16)6-5-14-4-3-10-19-12-14/h3-4,7-8,10,12-13H,9,11H2,1-2H3
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| InChIKey |
GVQHDESNIXDRAN-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