General Information of the Compound
| Compound ID |
CP0948405
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| Compound Name |
(S)-2-(2-Ethoxy-4-(5-((((R)-2-((R)-1-(N-((phosphonooxy)ethoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid, Ammonia salt
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| Structure |
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| Formula |
C32H48N5O14P
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| Molecular Weight |
757.731
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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)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OCCP(=O)(O)O.N
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| InChI |
InChI=1S/C32H45N4O14P.H3N/c1-4-7-8-9-21(24(5-2)36(19-37)49-14-15-51(45,46)47)29(40)33-18-34-31(42)26-13-12-25(50-26)20-10-11-22(27(16-20)48-6-3)30(41)35-23(32(43)44)17-28(38)39;/h10-13,16,19,21,23-24H,4-9,14-15,17-18H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)(H,43,44)(H2,45,46,47);1H3/t21-,23+,24-;/m1./s1
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| InChIKey |
NLYXUXXYXNUFFK-SYBNDRCGSA-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