General Information of the Compound
| Compound ID |
CP0040699
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)succinic acid
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| Structure |
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| Formula |
C23H20ClN3O6
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| Molecular Weight |
469.881
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(O)=O)C(O)=O
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| InChI |
InChI=1S/C23H20ClN3O6/c1-12-5-4-8-16(24)20(12)27-23(33)26-17-10-14-7-3-2-6-13(14)9-15(17)21(30)25-18(22(31)32)11-19(28)29/h2-10,18H,11H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H2,26,27,33)/t18-/m0/s1
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| InChIKey |
RQUJNDCXWQUVCP-SFHVURJKSA-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