General Information of the Compound
| Compound ID |
CP0563328
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| Compound Name |
US9314468, Table 7, Compound 149
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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 |
CC(N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)c1ccccn1
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| InChI |
InChI=1S/C29H36N6O2/c1-22(25-9-4-6-13-31-25)34(15-7-5-12-30)20-26-29-24(11-14-32-26)23-8-2-3-10-27(23)35(29)21-28(36)33-16-18-37-19-17-33/h2-4,6,8-11,13-14,22H,5,7,12,15-21,30H2,1H3
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| InChIKey |
GIFQJTINYJNXAQ-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