General Information of the Compound
| Compound ID |
CP0884452
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| Compound Name |
(2-ethoxy-4-(4-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyrimidin-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C25H36N5O8P
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| Molecular Weight |
565.564
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccnc(-c2ccc(P(=O)(O)O)c(OCC)c2)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H36N5O8P/c1-4-7-8-9-18(20(5-2)30(34)16-31)24(32)27-15-28-25(33)19-12-13-26-23(29-19)17-10-11-22(39(35,36)37)21(14-17)38-6-3/h10-14,16,18,20,34H,4-9,15H2,1-3H3,(H,27,32)(H,28,33)(H2,35,36,37)/t18-,20-/m1/s1
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| InChIKey |
YJTOOFBJTYJCOY-UYAOXDASSA-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