General Information of the Compound
| Compound ID |
CP0935667
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| Compound Name |
(S)-4-ethoxy-3-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)-4-oxobutanoic acid
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| Structure |
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| Formula |
C32H44N4O11
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| Molecular Weight |
660.721
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)OCC)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C32H44N4O11/c1-5-9-10-11-21(24(6-2)36(44)19-37)29(40)33-18-34-31(42)26-15-14-25(47-26)20-12-13-22(27(16-20)45-7-3)30(41)35-23(17-28(38)39)32(43)46-8-4/h12-16,19,21,23-24,44H,5-11,17-18H2,1-4H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)/t21-,23+,24-/m1/s1
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| InChIKey |
NCAMRNBZJLTWKF-YFNKSVMNSA-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: PT01896, Bone morphogenetic protein 1
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2