General Information of the Compound
| Compound ID |
CP0916862
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| Compound Name |
3-(4-(4-(2-((1-Benzylpiperidin-4-yl)methyl)-3-oxo-2,3-dihydro-1H-inden-5-yl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C39H45N5O
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| Molecular Weight |
599.823
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)C(=O)C(CC4CCN(Cc6ccccc6)CC4)C5)CC3)c2c1
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| InChI |
InChI=1S/C39H45N5O/c40-26-31-9-12-38-36(23-31)33(27-41-38)8-4-5-15-42-18-20-44(21-19-42)35-11-10-32-24-34(39(45)37(32)25-35)22-29-13-16-43(17-14-29)28-30-6-2-1-3-7-30/h1-3,6-7,9-12,23,25,27,29,34,41H,4-5,8,13-22,24,28H2
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| InChIKey |
VMNLZJCWNYAWCT-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