General Information of the Compound
| Compound ID |
CP0527052
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| Compound Name |
(R)-6-(4-chlorophenyl)-3-(2-(cyclopentylmethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H22ClN3O3S
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| Molecular Weight |
479.989
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4O[C@H](CN5CCCC5)COc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C25H22ClN3O3S/c26-17-5-3-16(4-6-17)23-12-20-24(33-23)25(30)29(15-27-20)18-7-8-21-22(11-18)31-14-19(32-21)13-28-9-1-2-10-28/h3-8,11-12,15,19H,1-2,9-10,13-14H2/t19-/m1/s1
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| InChIKey |
LXZGGZWBBGPVIA-LJQANCHMSA-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