General Information of the Compound
| Compound ID |
CP0955463
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C31H39N5O12
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| Molecular Weight |
673.676
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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)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C31H39N5O12/c1-3-5-6-8-19(24(4-2)36(47)17-37)28(42)32-16-33-30(44)22-10-7-9-21(34-22)18-11-12-20(25(13-18)48-15-27(40)41)29(43)35-23(31(45)46)14-26(38)39/h7,9-13,17,19,23-24,47H,3-6,8,14-16H2,1-2H3,(H,32,42)(H,33,44)(H,35,43)(H,38,39)(H,40,41)(H,45,46)/t19-,23+,24-/m1/s1
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| InChIKey |
YFDWYWDZFQGIBP-VEXUSMLFSA-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