General Information of the Compound
| Compound ID |
CP0315362
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| Compound Name |
N'-hydroxy-N-[4-[3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propylamino]phenyl]octanediamide
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| Structure |
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| Formula |
C26H32N8O3
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| Molecular Weight |
504.595
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc(NCCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C26H32N8O3/c35-23(6-3-1-2-4-7-24(36)33-37)32-21-10-8-20(9-11-21)27-13-5-15-34-17-19(16-31-34)25-22-12-14-28-26(22)30-18-29-25/h8-12,14,16-18,27,37H,1-7,13,15H2,(H,32,35)(H,33,36)(H,28,29,30)
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| InChIKey |
AMPZODPRXQXGKA-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