General Information of the Compound
| Compound ID |
CP0776417
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| Compound Name |
2-Amino-2-(hydroxymethyl)propane-1,3-diol 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic Acid tris(hydroxymethyl)aminomethane salt
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| Structure |
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| Formula |
C15H21ClN2O7
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| Molecular Weight |
376.793
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| Canonical SMILES |
Cc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl.NC(CO)(CO)CO
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| InChI |
InChI=1S/C11H10ClNO4.C4H11NO3/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15;5-4(1-6,2-7)3-8/h4-5H,2-3H2,1H3,(H,14,15);6-8H,1-3,5H2
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| InChIKey |
AASVNKPGCOVTCE-UHFFFAOYSA-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