General Information of the Compound
| Compound ID |
CP0960435
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((2R,3R)-3-(N-hydroxyformamido)-2-(2-(naphthalen-2-yl)ethyl)pentanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C37H40N4O11
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| Molecular Weight |
716.744
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| Canonical SMILES |
CCOc1cc(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccc4ccccc4c3)[C@@H](CC)N(O)C=O)o2)ccc1C(=O)N[C@@H](CC(=O)O)C(=O)O
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| InChI |
InChI=1S/C37H40N4O11/c1-3-29(41(50)21-42)26(13-10-22-9-11-23-7-5-6-8-24(23)17-22)34(45)38-20-39-36(47)31-16-15-30(52-31)25-12-14-27(32(18-25)51-4-2)35(46)40-28(37(48)49)19-33(43)44/h5-9,11-12,14-18,21,26,28-29,50H,3-4,10,13,19-20H2,1-2H3,(H,38,45)(H,39,47)(H,40,46)(H,43,44)(H,48,49)/t26-,28+,29-/m1/s1
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| InChIKey |
NUJAQSVCIOLENA-XNFLFYSQSA-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