General Information of the Compound
| Compound ID |
CP0502031
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(4-morpholinylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-(3H)-one
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| Structure |
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| Formula |
C25H23ClN4O3S
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| Molecular Weight |
495.004
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4OC(CN5CCOCC5)CNc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C25H23ClN4O3S/c26-17-3-1-16(2-4-17)23-12-21-24(34-23)25(31)30(15-28-21)18-5-6-22-20(11-18)27-13-19(33-22)14-29-7-9-32-10-8-29/h1-6,11-12,15,19,27H,7-10,13-14H2
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| InChIKey |
YIBPPXKCYWGKQV-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