General Information of the Compound
| Compound ID |
CP0317042
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| Compound Name |
(2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naphthamido)butanoic acid
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| Structure |
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| Formula |
C28H33N3O5
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| Molecular Weight |
491.588
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| Canonical SMILES |
CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1
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| InChIKey |
PKRTXXSIBBFUMG-CLOONOSVSA-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