General Information of the Compound
| Compound ID |
CP0574031
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| Compound Name |
US9314468, Table 7, Compound 144
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| Structure |
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| Formula |
C29H35N5
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| Molecular Weight |
453.634
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C29H35N5/c30-15-3-4-18-33(27-11-5-7-22-8-6-16-32-28(22)27)20-25-29-24(14-17-31-25)23-9-1-2-10-26(23)34(29)19-21-12-13-21/h1-2,6,8-10,14,16-17,21,27H,3-5,7,11-13,15,18-20,30H2/t27-/m0/s1
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| InChIKey |
JWEASISYMFSBIV-MHZLTWQESA-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