General Information of the Compound
| Compound ID |
CP0900068
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| Compound Name |
(2S)-2-(2-(carboxymethoxy)-4-(5-((((2R)-2-((1R)-1-(N-((2-methylcyclopropanecarbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C35H44N4O14
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| Molecular Weight |
744.751
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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)OC(=O)C1CC1C
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| InChI |
InChI=1S/C35H44N4O14/c1-4-6-7-8-21(25(5-2)39(18-40)53-35(50)23-13-19(23)3)31(45)36-17-37-33(47)27-12-11-26(52-27)20-9-10-22(28(14-20)51-16-30(43)44)32(46)38-24(34(48)49)15-29(41)42/h9-12,14,18-19,21,23-25H,4-8,13,15-17H2,1-3H3,(H,36,45)(H,37,47)(H,38,46)(H,41,42)(H,43,44)(H,48,49)/t19?,21-,23?,24+,25-/m1/s1
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| InChIKey |
BXAUFJXUGUHNJK-HIKJHPNQSA-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