General Information of the Compound
| Compound ID |
CP0382468
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| Compound Name |
3-{2-[4-(2-methoxy-naphthalen-1-yl)-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 |
C27H31N5O2S
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| Molecular Weight |
489.645
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| Canonical SMILES |
COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
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| InChI |
InChI=1S/C27H31N5O2S/c1-29-10-9-21-23(17-29)35-26-24(21)27(33)32(18-28-26)16-13-30-11-14-31(15-12-30)25-20-6-4-3-5-19(20)7-8-22(25)34-2/h3-8,18H,9-17H2,1-2H3
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| InChIKey |
CLKHJNVUYRXMGC-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