General Information of the Compound
| Compound ID |
CP0313079
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| Compound Name |
(S)-2-(3-(3-mesitylureido)-2-naphthamido)-3,3-dimethylbutanoic acid
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(O)=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H31N3O4/c1-15-11-16(2)22(17(3)12-15)29-26(34)28-21-14-19-10-8-7-9-18(19)13-20(21)24(31)30-23(25(32)33)27(4,5)6/h7-14,23H,1-6H3,(H,30,31)(H,32,33)(H2,28,29,34)/t23-/m1/s1
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| InChIKey |
WELDJBWSWBTAQE-HSZRJFAPSA-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