General Information of the Compound
| Compound ID |
CP0854346
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| Compound Name |
(R)-2-[(3-Iodobenzylamino)methyl]chroman-7-ol oxalate
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| Structure |
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| Formula |
C19H20INO6
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| Molecular Weight |
485.274
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| Canonical SMILES |
O=C(O)C(=O)O.Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2
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| InChI |
InChI=1S/C17H18INO2.C2H2O4/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16;3-1(4)2(5)6/h1-4,6,8-9,16,19-20H,5,7,10-11H2;(H,3,4)(H,5,6)/t16-;/m1./s1
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| InChIKey |
YQZZGWRXVUXVCC-PKLMIRHRSA-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