General Information of the Compound
| Compound ID |
CP0960310
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| Compound Name |
US9365511, 44
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| Structure |
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| Formula |
C22H27N5
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| Molecular Weight |
361.493
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCc3nnn[nH]3)cc2)cc1
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| InChI |
InChI=1S/C22H27N5/c1-17-3-2-15-27(17)16-14-19-6-11-21(12-7-19)20-9-4-18(5-10-20)8-13-22-23-25-26-24-22/h4-7,9-12,17H,2-3,8,13-16H2,1H3,(H,23,24,25,26)/t17-/m1/s1
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| InChIKey |
MZDAUBURAOTQQG-QGZVFWFLSA-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