General Information of the Compound
| Compound ID |
CP0002050
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| Compound Name |
US9777008, Compound 233
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H33N7O2/c37-25(19-34-13-8-21-5-1-2-6-24(21)18-34)17-31-26-15-22(7-10-30-26)28-32-16-23-9-14-36(29(23)33-28)20-27(38)35-11-3-4-12-35/h1-2,5-7,9-10,14-16,25,37H,3-4,8,11-13,17-20H2,(H,30,31)
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| InChIKey |
YYDGPHUNDKHTFB-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