General Information of the Compound
| Compound ID |
CP0433040
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| Compound Name |
6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]-4-(phenylsulfonyl)-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 |
C29H25ClN4O4S2
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| Molecular Weight |
593.13
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| Canonical SMILES |
CN(C)CC1CN(c2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H25ClN4O4S2/c1-32(2)16-22-17-34(40(36,37)23-6-4-3-5-7-23)25-14-21(12-13-26(25)38-22)33-18-31-24-15-27(39-28(24)29(33)35)19-8-10-20(30)11-9-19/h3-15,18,22H,16-17H2,1-2H3
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| InChIKey |
AADSFGMHGXEQDC-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