General Information of the Compound
| Compound ID |
CP0525266
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| Compound Name |
US9314468, Table 7, Compound 66
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| Structure |
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| Formula |
C32H41N7O
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| Molecular Weight |
539.728
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40)/t29-/m0/s1
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| InChIKey |
OIRFPCPZHQDIOS-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