General Information of the Compound
| Compound ID |
CP0904475
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| Compound Name |
4-[1,4]Diazepan-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 |
C18H22N6S
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| Molecular Weight |
354.483
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| Canonical SMILES |
c1n[nH]cc1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3
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| InChI |
InChI=1S/C18H22N6S/c1-2-5-14-13(4-1)15-17(24-8-3-6-19-7-9-24)22-16(23-18(15)25-14)12-10-20-21-11-12/h10-11,19H,1-9H2,(H,20,21)
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| InChIKey |
KMWVVSFSSCUVAP-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