General Information of the Compound
| Compound ID |
CP0870047
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| Compound Name |
(3-(5-((((R)-2-((R)-1-(N-((4-(1H-pyrrol-1-yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-5-ethoxyphenyl)phosphonic acid, diammonia salt
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| Structure |
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| Formula |
C36H49N6O10P
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| Molecular Weight |
756.794
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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)c1ccc(-n2cccc2)cc1.N.N
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| InChI |
InChI=1S/C36H43N4O10P.2H3N/c1-4-7-8-11-30(31(5-2)40(24-41)50-36(44)25-12-14-27(15-13-25)39-18-9-10-19-39)34(42)37-23-38-35(43)33-17-16-32(49-33)26-20-28(48-6-3)22-29(21-26)51(45,46)47;;/h9-10,12-22,24,30-31H,4-8,11,23H2,1-3H3,(H,37,42)(H,38,43)(H2,45,46,47);2*1H3/t30-,31-;;/m1../s1
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| InChIKey |
VXNZNRAYRPHMNT-ZAMYOOMVSA-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