General Information of the Compound
| Compound ID |
CP0099592
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| Compound Name |
US9062026, Table III, Compound 43
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| Structure |
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| Formula |
C23H23N5
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| Molecular Weight |
369.472
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| Canonical SMILES |
Cc1cc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
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| InChI |
InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27)
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| InChIKey |
KEXDPSXGMWVJRT-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