General Information of the Compound
| Compound ID |
CP0903699
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| Compound Name |
(3-(5-((((R)-2-((R)-1-(N-((2-((dimethylcarbamoyl)oxy)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-5-ethoxyphenyl)phosphonic acid
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| Structure |
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| Formula |
C35H45N4O12P
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| Molecular Weight |
744.735
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccccc1OC(=O)N(C)C
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| InChI |
InChI=1S/C35H45N4O12P/c1-6-9-10-13-26(28(7-2)39(22-40)51-34(43)27-14-11-12-15-30(27)50-35(44)38(4)5)32(41)36-21-37-33(42)31-17-16-29(49-31)23-18-24(48-8-3)20-25(19-23)52(45,46)47/h11-12,14-20,22,26,28H,6-10,13,21H2,1-5H3,(H,36,41)(H,37,42)(H2,45,46,47)/t26-,28-/m1/s1
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| InChIKey |
IDIAOYLIGRSJIR-IXCJQBJRSA-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