General Information of the Compound
| Compound ID |
CP0497915
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| Compound Name |
N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
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| Structure |
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| Formula |
C27H23ClN4O3
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| Molecular Weight |
486.959
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| Canonical SMILES |
NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C27H23ClN4O3/c28-22-15-18(11-13-25(22)33)27(35)32-30-16-19-10-12-23(21-9-5-4-8-20(19)21)31-24(26(29)34)14-17-6-2-1-3-7-17/h1-13,15-16,24,31,33H,14H2,(H2,29,34)(H,32,35)/b30-16+/t24-/m1/s1
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| InChIKey |
XNSDUPNJQXPEKW-ZYMKGWJUSA-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