General Information of the Compound
| Compound ID |
CP0548680
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| Compound Name |
4-[4-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]butoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C35H39ClN4O
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| Molecular Weight |
567.177
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| Canonical SMILES |
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
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| InChI |
InChI=1S/C35H39ClN4O/c1-2-17-37-32-15-14-30-29(32)10-6-13-35(30)41-24-4-3-18-38-20-22-39(23-21-38)33-11-7-12-34-31(33)16-19-40(34)26-27-8-5-9-28(36)25-27/h1,5-13,16,19,25,32,37H,3-4,14-15,17-18,20-24,26H2
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| InChIKey |
UYOCKTVRSMHBRW-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