General Information of the Compound
| Compound ID |
CP0564063
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| Compound Name |
US9314468, Table 8, Compound 8
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| Structure |
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| Formula |
C32H43N7
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| Molecular Weight |
525.745
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc12
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| InChI |
InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2
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| InChIKey |
KRDNCRHWZIFVKV-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