General Information of the Compound
| Compound ID |
CP0569276
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| Compound Name |
1-(4-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-[2-(diethylamino)ethylsulfanyl]ethanone
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| Structure |
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| Formula |
C19H22ClN3OS
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| Molecular Weight |
375.925
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| Canonical SMILES |
CCN(CC)CCSCC(=O)c1ccc2[nH]c3nccc(Cl)c3c2c1
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| InChI |
InChI=1S/C19H22ClN3OS/c1-3-23(4-2)9-10-25-12-17(24)13-5-6-16-14(11-13)18-15(20)7-8-21-19(18)22-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22)
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| InChIKey |
VIBRVIBXGIWSMS-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