General Information of the Compound
| Compound ID |
CP0408814
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[(3R)-3-hydroxy-1-pyrrolidinyl]-methyl}-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 |
O[C@@H]1CCN(CC2CNc3cc(ccc3O2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C25H23ClN4O3S/c26-16-3-1-15(2-4-16)23-10-21-24(34-23)25(32)30(14-28-21)17-5-6-22-20(9-17)27-11-19(33-22)13-29-8-7-18(31)12-29/h1-6,9-10,14,18-19,27,31H,7-8,11-13H2/t18-,19?/m1/s1
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| InChIKey |
LZNGOWRILRYSPJ-MRTLOADZSA-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