General Information of the Compound
| Compound ID |
CP0490622
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| Compound Name |
N-[[4-[4-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]butoxy]phenyl]methyl]-N-methylprop-2-yn-1-amine
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| Formula |
C34H39ClN4O
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| Molecular Weight |
555.166
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| Canonical SMILES |
CN(CC#C)Cc1ccc(OCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
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| InChI |
InChI=1S/C34H39ClN4O/c1-3-17-36(2)26-28-12-14-31(15-13-28)40-24-5-4-18-37-20-22-38(23-21-37)33-10-7-11-34-32(33)16-19-39(34)27-29-8-6-9-30(35)25-29/h1,6-16,19,25H,4-5,17-18,20-24,26-27H2,2H3
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| InChIKey |
CDAQXCQLAXCGRD-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