General Information of the Compound
| Compound ID |
CP0854344
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| Compound Name |
(R)-1-(4-Iodophenyl)-4-(4-(7-hydroxychroman-2-yl)-3-azabutyl)-piperazine oxalate
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| Structure |
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| Formula |
C24H30IN3O6
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| Molecular Weight |
583.423
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| Canonical SMILES |
O=C(O)C(=O)O.Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2
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| InChI |
InChI=1S/C22H28IN3O2.C2H2O4/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21;3-1(4)2(5)6/h1,3-7,15,21,24,27H,2,8-14,16H2;(H,3,4)(H,5,6)/t21-;/m1./s1
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| InChIKey |
YNLXAVVGSZRKMZ-ZMBIFBSDSA-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