General Information of the Compound
| Compound ID |
CP0279542
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| Compound Name |
(S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-methylbutanoic acid
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C26H29N3O4/c1-14(2)22(25(31)32)28-24(30)20-12-18-8-6-7-9-19(18)13-21(20)27-26(33)29-23-16(4)10-15(3)11-17(23)5/h6-14,22H,1-5H3,(H,28,30)(H,31,32)(H2,27,29,33)/t22-/m0/s1
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| InChIKey |
RAWZOYGRPWETBF-QFIPXVFZSA-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