General Information of the Compound
| Compound ID |
CP0870070
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-(N-methylmethylsulfonamido)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C39H49N5O14S
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| Molecular Weight |
843.909
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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)OC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C39H49N5O14S/c1-6-9-10-11-27(30(7-2)44(23-45)58-39(53)24-12-15-26(16-13-24)43(4)59(5,54)55)35(48)40-22-41-37(50)32-19-18-31(57-32)25-14-17-28(33(20-25)56-8-3)36(49)42-29(38(51)52)21-34(46)47/h12-20,23,27,29-30H,6-11,21-22H2,1-5H3,(H,40,48)(H,41,50)(H,42,49)(H,46,47)(H,51,52)/t27-,29+,30-/m1/s1
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| InChIKey |
BFZNFCWCVKLXCA-CCNCKIRNSA-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