General Information of the Compound
| Compound ID |
CP0400128
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| Compound Name |
(2S)-2-[[4-[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]phenyl]benzoyl]amino]-3-methylbutanoic acid
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| Structure |
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| Formula |
C27H26N4O3S
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| Molecular Weight |
486.597
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H26N4O3S/c1-17(2)24(26(33)34)29-25(32)21-10-8-19(9-11-21)20-12-14-22(15-13-20)28-27-31-30-23(35-27)16-18-6-4-3-5-7-18/h3-15,17,24H,16H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)/t24-/m0/s1
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| InChIKey |
OSXIQEPXWCPZJK-DEOSSOPVSA-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