General Information of the Compound
| Compound ID |
CP0900149
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| Compound Name |
3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-1-(1-ethylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H22ClN5O2S2
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| Molecular Weight |
452.005
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| Canonical SMILES |
CCN1CCCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1
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| InChI |
InChI=1S/C19H22ClN5O2S2/c1-2-23-8-4-5-13(11-23)25-12-15(14-6-3-7-21-17(14)25)29(26,27)18-16(20)22-19-24(18)9-10-28-19/h3,6-7,9-10,12-13,19,22H,2,4-5,8,11H2,1H3
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| InChIKey |
HNXCSVZLBCMJNS-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