General Information of the Compound
| Compound ID |
CP0417780
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)pentanedioic acid
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| Structure |
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| Formula |
C24H22ClN3O6
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| Molecular Weight |
483.908
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C24H22ClN3O6/c1-13-5-4-8-17(25)21(13)28-24(34)27-19-12-15-7-3-2-6-14(15)11-16(19)22(31)26-18(23(32)33)9-10-20(29)30/h2-8,11-12,18H,9-10H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H2,27,28,34)/t18-/m0/s1
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| InChIKey |
ZVSKPBYDGMERGX-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