General Information of the Compound
| Compound ID |
CP0526504
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| Compound Name |
methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-[4-(4-phenylphenyl)phenyl]propanoate
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| Structure |
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| Formula |
C31H36N2O5
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| Molecular Weight |
516.638
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO
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| InChI |
InChI=1S/C31H36N2O5/c1-38-31(36)28(32-29(34)12-8-3-2-4-9-13-30(35)33-37)22-23-14-16-25(17-15-23)27-20-18-26(19-21-27)24-10-6-5-7-11-24/h5-7,10-11,14-21,28,37H,2-4,8-9,12-13,22H2,1H3,(H,32,34)(H,33,35)/t28-/m0/s1
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| InChIKey |
XAABXQUDOMMZLT-NDEPHWFRSA-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