General Information of the Compound
| Compound ID |
CP0434101
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| Compound Name |
6-(3-ethynylphenyl)-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
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| Structure |
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| Formula |
C28H34N2O
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| Molecular Weight |
414.593
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| Canonical SMILES |
C#Cc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
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| InChI |
InChI=1S/C28H34N2O/c1-2-22-9-6-10-23(19-22)27-21-30-17-7-11-28(30)26-20-24(12-13-25(26)27)31-18-8-16-29-14-4-3-5-15-29/h1,6,9-10,12-13,19-20,27-28H,3-5,7-8,11,14-18,21H2
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| InChIKey |
ZNVBHGZWKBGMOL-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