General Information of the Compound
| Compound ID |
CP0910043
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| Compound Name |
Cyclopentanecarboxylic acid {4-[(3-cyano-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalen-1-yl}-cyclopentanecarbonyl-amide
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| Structure |
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| Formula |
C31H30N4O4
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| Molecular Weight |
522.605
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| Canonical SMILES |
N#Cc1cc(C(=O)N/N=C/c2ccc(N(C(=O)C3CCCC3)C(=O)C3CCCC3)c3ccccc23)ccc1O
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| InChI |
InChI=1S/C31H30N4O4/c32-18-24-17-22(14-16-28(24)36)29(37)34-33-19-23-13-15-27(26-12-6-5-11-25(23)26)35(30(38)20-7-1-2-8-20)31(39)21-9-3-4-10-21/h5-6,11-17,19-21,36H,1-4,7-10H2,(H,34,37)/b33-19+
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| InChIKey |
BHMNOLWSFZMLPS-HNSNBQBZSA-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