General Information of the Compound
| Compound ID |
CP0224050
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| Compound Name |
US9416126, D11
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| Structure |
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| Formula |
C18H21N5O2
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| Molecular Weight |
339.399
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| Canonical SMILES |
CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C18H21N5O2/c1-12(2)25-13-3-4-15-14(9-13)18(22-21-15)16-10-17(20-11-19-16)23-5-7-24-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,22)
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| InChIKey |
NTIDXUFUHWYHOD-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