General Information of the Compound
| Compound ID |
CP0902583
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| Compound Name |
(R)-5-(3-((2-aminoethyl)carbamoyl)-5-methoxyphenyl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C25H35N5O7
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| Molecular Weight |
517.583
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cc(OC)cc(C(=O)NCCN)c2)o1
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| InChI |
InChI=1S/C25H35N5O7/c1-3-4-5-6-17(14-30(35)16-31)23(32)28-15-29-25(34)22-8-7-21(37-22)18-11-19(13-20(12-18)36-2)24(33)27-10-9-26/h7-8,11-13,16-17,35H,3-6,9-10,14-15,26H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)/t17-/m1/s1
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| InChIKey |
VTGLVUHAYVNQDP-QGZVFWFLSA-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