General Information of the Compound
| Compound ID |
CP0958023
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| Compound Name |
US9314468, Table 7, Compound 17
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| Structure |
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| Formula |
C27H31N5O
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| Molecular Weight |
441.579
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| Canonical SMILES |
CC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21
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| InChI |
InChI=1S/C27H31N5O/c1-19(33)28-14-4-5-17-32(25-12-6-8-20-9-7-15-30-26(20)25)18-24-27-22(13-16-29-24)21-10-2-3-11-23(21)31-27/h2-3,7,9-11,13,15-16,25,31H,4-6,8,12,14,17-18H2,1H3,(H,28,33)
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| InChIKey |
IVQRTTMAWAWTHK-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