General Information of the Compound
| Compound ID |
CP0333756
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| Compound Name |
(2S,3S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)-3-methylpentanoic acid
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| Structure |
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| Formula |
C25H26ClN3O4
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| Molecular Weight |
467.953
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H26ClN3O4/c1-4-14(2)22(24(31)32)28-23(30)18-12-16-9-5-6-10-17(16)13-20(18)27-25(33)29-21-15(3)8-7-11-19(21)26/h5-14,22H,4H2,1-3H3,(H,28,30)(H,31,32)(H2,27,29,33)/t14-,22-/m0/s1
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| InChIKey |
BRGGPINUBORHSD-FPTDNZKUSA-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