General Information of the Compound
| Compound ID |
CP0548570
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| Compound Name |
N-[[4-[6-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]hexoxy]phenyl]methyl]-N-methylprop-2-yn-1-amine
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| Formula |
C36H43ClN4O
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| Molecular Weight |
583.22
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| Canonical SMILES |
CN(CC#C)Cc1ccc(OCCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
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| InChI |
InChI=1S/C36H43ClN4O/c1-3-19-38(2)28-30-14-16-33(17-15-30)42-26-7-5-4-6-20-39-22-24-40(25-23-39)35-12-9-13-36-34(35)18-21-41(36)29-31-10-8-11-32(37)27-31/h1,8-18,21,27H,4-7,19-20,22-26,28-29H2,2H3
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| InChIKey |
ARJRTTZELVZADZ-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