General Information of the Compound
| Compound ID |
CP0880545
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| Compound Name |
2-morpholinoethyl 4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoate
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| Structure |
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| Formula |
C30H42N4O8
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| Molecular Weight |
586.686
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)OCCN3CCOCC3)cc2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C30H42N4O8/c1-3-5-6-7-24(25(4-2)34(39)21-35)28(36)31-20-32-29(37)27-13-12-26(42-27)22-8-10-23(11-9-22)30(38)41-19-16-33-14-17-40-18-15-33/h8-13,21,24-25,39H,3-7,14-20H2,1-2H3,(H,31,36)(H,32,37)/t24-,25-/m1/s1
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| InChIKey |
XWPSTAJLZNPZTP-JWQCQUIFSA-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