General Information of the Compound
| Compound ID |
CP0574030
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| Compound Name |
US9314468, Table 7, Compound 133
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| Structure |
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| Formula |
C29H36N6O2
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| Molecular Weight |
500.647
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| Canonical SMILES |
Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12
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| InChI |
InChI=1S/C29H36N6O2/c1-22-7-6-12-31-25(22)19-33(14-5-4-11-30)20-26-29-24(10-13-32-26)23-8-2-3-9-27(23)35(29)21-28(36)34-15-17-37-18-16-34/h2-3,6-10,12-13H,4-5,11,14-21,30H2,1H3
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| InChIKey |
TXTDPPRSFZXQSH-UHFFFAOYSA-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