General Information of the Compound
| Compound ID |
CP0849300
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| Compound Name |
(R)-1-(4-(2-Fluoroethoxy)phenyl)-4-(4-(7-hydroxychroman-2-yl)-3-azabutyl)-piperazine oxalate
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| Structure |
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| Formula |
C26H34FN3O7
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| Molecular Weight |
519.57
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| Canonical SMILES |
O=C(O)C(=O)O.Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2
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| InChI |
InChI=1S/C24H32FN3O3.C2H2O4/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23;3-1(4)2(5)6/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2;(H,3,4)(H,5,6)/t23-;/m1./s1
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| InChIKey |
RZVJHWFWMXWRBD-GNAFDRTKSA-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