General Information of the Compound
| Compound ID |
CP0562479
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| Compound Name |
3-{2-[4-(2-methoxy-5-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H28F3N5O2S
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| Molecular Weight |
507.582
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| Canonical SMILES |
COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N5O2S/c1-29-6-5-17-20(14-29)35-22-21(17)23(33)32(15-28-22)12-9-30-7-10-31(11-8-30)18-13-16(24(25,26)27)3-4-19(18)34-2/h3-4,13,15H,5-12,14H2,1-2H3
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| InChIKey |
XCXIJZOLTHUEGO-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