General Information of the Compound
| Compound ID |
CP0872464
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| Compound Name |
(3-(5-((((R)-2-((R)-1-(N-((2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-5-ethoxyphenyl)phosphonic acid
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| Structure |
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| Formula |
C34H42N3O12P
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| Molecular Weight |
715.693
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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)c1ccc2c(c1)OCCO2
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| InChI |
InChI=1S/C34H42N3O12P/c1-4-7-8-9-26(27(5-2)37(21-38)49-34(41)22-10-11-29-31(18-22)47-15-14-46-29)32(39)35-20-36-33(40)30-13-12-28(48-30)23-16-24(45-6-3)19-25(17-23)50(42,43)44/h10-13,16-19,21,26-27H,4-9,14-15,20H2,1-3H3,(H,35,39)(H,36,40)(H2,42,43,44)/t26-,27-/m1/s1
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| InChIKey |
UWLUJQRTGIKLMD-KAYWLYCHSA-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