General Information of the Compound
| Compound ID |
CP0947231
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| Compound Name |
(S)-2-(5-ethoxy-3'-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-bipheriyl]-3-ylcarboxamido)succinic acid
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| Structure |
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| Formula |
C32H42N4O10
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| Molecular Weight |
642.706
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c2)c1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C32H42N4O10/c1-4-7-8-12-25(27(5-2)36(45)19-37)31(42)34-18-33-29(40)21-11-9-10-20(13-21)22-14-23(16-24(15-22)46-6-3)30(41)35-26(32(43)44)17-28(38)39/h9-11,13-16,19,25-27,45H,4-8,12,17-18H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)(H,43,44)/t25-,26+,27-/m1/s1
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| InChIKey |
BBKUXAVSLNIJJY-KWXIBIRDSA-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