General Information of the Compound
| Compound ID |
CP0878687
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| Compound Name |
(S)-diethyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate
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| Structure |
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| Formula |
C34H48N4O11
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| Molecular Weight |
688.775
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)OCC)C(=O)OCC)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C34H48N4O11/c1-6-11-12-13-23(26(7-2)38(45)21-39)31(41)35-20-36-33(43)28-17-16-27(49-28)22-14-15-24(29(18-22)46-8-3)32(42)37-25(34(44)48-10-5)19-30(40)47-9-4/h14-18,21,23,25-26,45H,6-13,19-20H2,1-5H3,(H,35,41)(H,36,43)(H,37,42)/t23-,25+,26-/m1/s1
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| InChIKey |
UCNHVBBFTAXUSX-DMTNHVFBSA-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