General Information of the Compound
| Compound ID |
CP0945137
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| Compound Name |
cis-2-(5-chlorobenzo[b]thiophen-3-yl)-1-(3-propoxy-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C23H31ClN2O2S
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| Molecular Weight |
435.033
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| Canonical SMILES |
CCCO[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1
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| InChI |
InChI=1S/C23H31ClN2O2S/c1-2-12-28-21-6-5-11-26(20(21)15-25-9-3-4-10-25)23(27)13-17-16-29-22-8-7-18(24)14-19(17)22/h7-8,14,16,20-21H,2-6,9-13,15H2,1H3/t20-,21-/m0/s1
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| InChIKey |
XUPNTLROUUVTNL-SFTDATJTSA-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