General Information of the Compound
| Compound ID |
CP0572427
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| Compound Name |
US9314468, Table 7, Compound 2
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| Structure |
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| Formula |
C23H30N6
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| Molecular Weight |
390.535
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| Canonical SMILES |
Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1
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| InChI |
InChI=1S/C23H30N6/c1-28-21(26-27-23(28)19-9-3-2-4-10-19)17-29(16-6-5-14-24)20-13-7-11-18-12-8-15-25-22(18)20/h2-4,8-10,12,15,20H,5-7,11,13-14,16-17,24H2,1H3
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| InChIKey |
IQXADRSWBMCYJU-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