General Information of the Compound
| Compound ID |
CP0914018
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| Compound Name |
4-[1,4]Diazepan-1-yl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene
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| Structure |
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| Formula |
C21H25N5S
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| Molecular Weight |
379.533
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| Canonical SMILES |
c1cc(-c2nc(N3CCCNCC3)c3c4c(sc3n2)CCCCC4)ccn1
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| InChI |
InChI=1S/C21H25N5S/c1-2-5-16-17(6-3-1)27-21-18(16)20(26-13-4-9-22-12-14-26)24-19(25-21)15-7-10-23-11-8-15/h7-8,10-11,22H,1-6,9,12-14H2
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| InChIKey |
ULOLPZWHWLZTDC-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