General Information of the Compound
| Compound ID |
CP0903285
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| Compound Name |
4-[1,4]Diazepan-1-yl-7,9-dimethyl-2-pyridin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C21H22N6S
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| Molecular Weight |
390.516
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(N3CCCNCC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C21H22N6S/c1-13-12-14(2)24-21-16(13)17-18(28-21)20(27-10-3-6-22-9-11-27)26-19(25-17)15-4-7-23-8-5-15/h4-5,7-8,12,22H,3,6,9-11H2,1-2H3
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| InChIKey |
DJJXWEGUPVSBEL-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