General Information of the Compound
| Compound ID |
CP0905539
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| Compound Name |
(S)-2-(4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)-2-methylbenzamido)succinic acid Hydrochloride
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| Structure |
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| Formula |
C30H40ClN5O9
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| Molecular Weight |
650.129
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(C)c2)n1)[C@@H](CC)N(O)C=O.Cl
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| InChI |
InChI=1S/C30H39N5O9.ClH/c1-4-6-7-9-21(25(5-2)35(44)17-36)27(39)31-16-32-29(41)23-11-8-10-22(33-23)19-12-13-20(18(3)14-19)28(40)34-24(30(42)43)15-26(37)38;/h8,10-14,17,21,24-25,44H,4-7,9,15-16H2,1-3H3,(H,31,39)(H,32,41)(H,34,40)(H,37,38)(H,42,43);1H/t21-,24+,25-;/m1./s1
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| InChIKey |
QHCSULSRIUITGX-HDFQZRMESA-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