General Information of the Compound
| Compound ID |
CP0850668
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| Compound Name |
4-[1,4]Diazepan-1-yl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C20H26N6S
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| Molecular Weight |
382.537
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| Canonical SMILES |
Cc1n[nH]c(C)c1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3
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| InChI |
InChI=1S/C20H26N6S/c1-12-16(13(2)25-24-12)18-22-19(26-10-5-8-21-9-11-26)17-14-6-3-4-7-15(14)27-20(17)23-18/h21H,3-11H2,1-2H3,(H,24,25)
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| InChIKey |
OUGCUOHUQXKFNG-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