General Information of the Compound
| Compound ID |
CP0870038
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-(((R)-2-((R)-1-(N-(4-methoxy-2-(trifluoromethyl)benzoyloxy)formamido)propyl)heptanamido)methylcarbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C39H45F3N4O13
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| Molecular Weight |
834.798
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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(OC)cc1C(F)(F)F
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| InChI |
InChI=1S/C39H45F3N4O13/c1-5-8-9-10-25(29(6-2)46(21-47)59-38(55)24-14-12-23(56-4)18-27(24)39(40,41)42)34(50)43-20-44-36(52)31-16-15-30(58-31)22-11-13-26(32(17-22)57-7-3)35(51)45-28(37(53)54)19-33(48)49/h11-18,21,25,28-29H,5-10,19-20H2,1-4H3,(H,43,50)(H,44,52)(H,45,51)(H,48,49)(H,53,54)/t25-,28+,29-/m1/s1
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| InChIKey |
LKIVYRDLBPCISY-QUFBTCJSSA-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