General Information of the Compound
| Compound ID |
CP0516389
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| Compound Name |
US9314468, Table 7, Compound 88
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| Structure |
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| Formula |
C31H34N6
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| Molecular Weight |
490.655
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C31H34N6/c32-16-4-6-20-36(29-14-7-9-23-10-8-18-35-30(23)29)22-27-31-26(15-19-34-27)25-12-1-2-13-28(25)37(31)21-24-11-3-5-17-33-24/h1-3,5,8,10-13,15,17-19,29H,4,6-7,9,14,16,20-22,32H2/t29-/m0/s1
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| InChIKey |
MSCRAFSZHJSLOE-LJAQVGFWSA-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