General Information of the Compound
| Compound ID |
CP0048998
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| Compound Name |
5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene
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| Synonyms |
SK&F-104856
SK-104856
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| Structure |
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| Formula |
C14H14ClNS
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| Molecular Weight |
263.793
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| Canonical SMILES |
CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
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| InChI |
InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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| InChIKey |
WKXSXFYQPCWZOS-UHFFFAOYSA-N
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| CAS |
136427-58-2
138194-10-2
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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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Clinical Information about the Compound