General Information of the Compound
| Compound ID |
CP0370059
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| Compound Name |
N'-hydroxy-N-[4-[3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]phenyl]octanediamide
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| Structure |
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| Formula |
C26H31N7O3
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| Molecular Weight |
489.58
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc(CCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C26H31N7O3/c34-23(7-3-1-2-4-8-24(35)32-36)31-21-11-9-19(10-12-21)6-5-15-33-17-20(16-30-33)25-22-13-14-27-26(22)29-18-28-25/h9-14,16-18,36H,1-8,15H2,(H,31,34)(H,32,35)(H,27,28,29)
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| InChIKey |
XUDWZNDDTLRWKX-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