General Information of the Compound
| Compound ID |
CP0880495
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| Compound Name |
(S)-2-(2-(Carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((phosphonooxy)methoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C31H41N4O17P
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| Molecular Weight |
772.654
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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(=O)O)c2)o1)[C@@H](CC)N(C=O)OCOP(=O)(O)O
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| InChI |
InChI=1S/C31H41N4O17P/c1-3-5-6-7-19(22(4-2)35(16-36)50-17-51-53(46,47)48)28(41)32-15-33-30(43)24-11-10-23(52-24)18-8-9-20(25(12-18)49-14-27(39)40)29(42)34-21(31(44)45)13-26(37)38/h8-12,16,19,21-22H,3-7,13-15,17H2,1-2H3,(H,32,41)(H,33,43)(H,34,42)(H,37,38)(H,39,40)(H,44,45)(H2,46,47,48)/t19-,21+,22-/m1/s1
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| InChIKey |
WRCWXUQRSGZPNQ-BAGYTPMASA-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