General Information of the Compound
| Compound ID |
CP0466077
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| Compound Name |
4-[2-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]ethoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C33H35ClN4O
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| Molecular Weight |
539.123
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| Canonical SMILES |
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCOc3cccc4C(CCc34)NCC#C)CC2)c1
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| InChI |
InChI=1S/C33H35ClN4O/c1-2-15-35-30-13-12-28-27(30)8-4-11-33(28)39-22-21-36-17-19-37(20-18-36)31-9-5-10-32-29(31)14-16-38(32)24-25-6-3-7-26(34)23-25/h1,3-11,14,16,23,30,35H,12-13,15,17-22,24H2
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| InChIKey |
DYZBMXLEOAZQTD-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