General Information of the Compound
| Compound ID |
CP0518079
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-1-methyl-1H-indol-5-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C28H27ClN4O2S
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| Molecular Weight |
519.07
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| Canonical SMILES |
COC[C@H]1CCCN1Cc1cc2cc(ccc2n1C)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H27ClN4O2S/c1-31-23(15-32-11-3-4-22(32)16-35-2)13-19-12-21(9-10-25(19)31)33-17-30-24-14-26(36-27(24)28(33)34)18-5-7-20(29)8-6-18/h5-10,12-14,17,22H,3-4,11,15-16H2,1-2H3/t22-/m1/s1
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| InChIKey |
JNHZMEBIKUJAIN-JOCHJYFZSA-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