General Information of the Compound
| Compound ID |
CP0700338
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| Compound Name |
US9260440, 41
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| Structure |
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| Formula |
C18H19N3O2
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| Molecular Weight |
309.369
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| Canonical SMILES |
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CC2CO2)C1
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| InChI |
InChI=1S/C18H19N3O2/c1-18(2)6-12-16-14(7-18)21(8-10-9-23-10)13-5-3-4-11(15(13)16)17(22)20-19-12/h3-5,10H,6-9H2,1-2H3,(H,20,22)
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| InChIKey |
CHUANYXVPMSWFM-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