General Information of the Compound
| Compound ID |
CP0883801
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| Compound Name |
(S)-2-(3-(carboxymethoxy)-3'-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-4-ylcarboxamido)succinic acid
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| Structure |
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| Formula |
C32H40N4O12
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| Molecular Weight |
672.688
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)c1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C32H40N4O12/c1-3-5-6-10-22(25(4-2)36(47)18-37)30(43)34-17-33-29(42)21-9-7-8-19(13-21)20-11-12-23(26(14-20)48-16-28(40)41)31(44)35-24(32(45)46)15-27(38)39/h7-9,11-14,18,22,24-25,47H,3-6,10,15-17H2,1-2H3,(H,33,42)(H,34,43)(H,35,44)(H,38,39)(H,40,41)(H,45,46)/t22-,24+,25-/m1/s1
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| InChIKey |
HMTNCEWNGNAKDX-PZUNEJSGSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2