General Information of the Compound
| Compound ID |
CP0128788
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| Compound Name |
(S)-2-(2-(3-(2,6-dimethylphenyl)ureido)-2-naphthamido)succinic acid
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| Structure |
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| Formula |
C24H23N3O6
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| Molecular Weight |
449.463
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(O)=O)C(O)=O
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| InChI |
InChI=1S/C24H23N3O6/c1-13-6-5-7-14(2)21(13)27-24(33)26-18-11-16-9-4-3-8-15(16)10-17(18)22(30)25-19(23(31)32)12-20(28)29/h3-11,19H,12H2,1-2H3,(H,25,30)(H,28,29)(H,31,32)(H2,26,27,33)/t19-/m0/s1
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| InChIKey |
XLRNOBHCDGERDN-IBGZPJMESA-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