General Information of the Compound
| Compound ID |
CP0563413
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| Compound Name |
US9314468, Table 7, Compound 65
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| Structure |
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| Formula |
C31H39N7O
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| Molecular Weight |
525.701
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C31H39N7O/c32-13-3-4-18-37(28-11-5-7-23-8-6-14-35-30(23)28)21-26-31-25(12-15-34-26)24-9-1-2-10-27(24)38(31)22-29(39)36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,28,33H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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| InChIKey |
NJQWIRGYRIYSTI-NDEPHWFRSA-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