General Information of the Compound
| Compound ID |
CP0952746
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| Compound Name |
4-((S)-3-Benzyl-piperazin-1-yl)-2-(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 |
C24H26N6S
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| Molecular Weight |
430.581
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| Canonical SMILES |
c1ccc(C[C@H]2CN(c3nc(-c4cn[nH]c4)nc4sc5c(c34)CCCC5)CCN2)cc1
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| InChI |
InChI=1S/C24H26N6S/c1-2-6-16(7-3-1)12-18-15-30(11-10-25-18)23-21-19-8-4-5-9-20(19)31-24(21)29-22(28-23)17-13-26-27-14-17/h1-3,6-7,13-14,18,25H,4-5,8-12,15H2,(H,26,27)/t18-/m0/s1
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| InChIKey |
IKMZQOUMYVZNRA-SFHVURJKSA-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