General Information of the Compound
| Compound ID |
CP0554895
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| Compound Name |
4-[5-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]pentoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C36H41ClN4O
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| Molecular Weight |
581.204
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| Canonical SMILES |
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
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| InChI |
InChI=1S/C36H41ClN4O/c1-2-18-38-33-16-15-31-30(33)11-7-14-36(31)42-25-5-3-4-19-39-21-23-40(24-22-39)34-12-8-13-35-32(34)17-20-41(35)27-28-9-6-10-29(37)26-28/h1,6-14,17,20,26,33,38H,3-5,15-16,18-19,21-25,27H2
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| InChIKey |
PGKATOLEFVWLSG-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