General Information of the Compound
| Compound ID |
CP0012003
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| Compound Name |
US9777008, Compound 262
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
CNC(=O)Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C28H30N4O3/c1-29-28(34)17-32-19-30-26-10-9-22(14-27(26)32)21-7-4-8-25(13-21)35-18-24(33)16-31-12-11-20-5-2-3-6-23(20)15-31/h2-10,13-14,19,24,33H,11-12,15-18H2,1H3,(H,29,34)
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| InChIKey |
FFORRFIFSFUQDD-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