General Information of the Compound
| Compound ID |
CP0477966
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| Compound Name |
US9314468, Table 7, Compound 128
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| Structure |
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| Formula |
C32H40N6O
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| Molecular Weight |
524.713
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C32H40N6O/c33-16-4-7-21-37(29-14-8-10-24-11-9-17-35-31(24)29)22-27-32-26(15-18-34-27)25-12-2-3-13-28(25)38(32)23-30(39)36-19-5-1-6-20-36/h2-3,9,11-13,15,17-18,29H,1,4-8,10,14,16,19-23,33H2/t29-/m0/s1
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| InChIKey |
QXQQHODCDQBEDT-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