General Information of the Compound
| Compound ID |
CP0840465
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| Compound Name |
3-[6-(benzyloxy)-5-chloro-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 |
C21H25ClN2O8
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| Molecular Weight |
468.89
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| Canonical SMILES |
NC(CO)(CO)CO.O=C(O)CCn1c(=O)oc2cc(OCc3ccccc3)c(Cl)cc21
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| InChI |
InChI=1S/C17H14ClNO5.C4H11NO3/c18-12-8-13-15(24-17(22)19(13)7-6-16(20)21)9-14(12)23-10-11-4-2-1-3-5-11;5-4(1-6,2-7)3-8/h1-5,8-9H,6-7,10H2,(H,20,21);6-8H,1-3,5H2
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| InChIKey |
LGLIIHKXNMOZID-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