General Information of the Compound
| Compound ID |
CP0442831
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| Compound Name |
US9216182, 2.3
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| Structure |
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| Formula |
C18H25N5O2
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| Molecular Weight |
343.431
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(C1)c1ccc(cn1)[N+]#[C-]
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| InChI |
InChI=1S/C18H25N5O2/c1-14(2)21-8-10-22(11-9-21)18(24)25-16-6-7-23(13-16)17-5-4-15(19-3)12-20-17/h4-5,12,14,16H,6-11,13H2,1-2H3
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| InChIKey |
TUUSBZUKUHQKJI-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