General Information of the Compound
| Compound ID |
CP0490640
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| Compound Name |
4-[6-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]hexoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C37H43ClN4O
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| Molecular Weight |
595.231
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| Canonical SMILES |
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
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| InChI |
InChI=1S/C37H43ClN4O/c1-2-19-39-34-17-16-32-31(34)12-8-15-37(32)43-26-6-4-3-5-20-40-22-24-41(25-23-40)35-13-9-14-36-33(35)18-21-42(36)28-29-10-7-11-30(38)27-29/h1,7-15,18,21,27,34,39H,3-6,16-17,19-20,22-26,28H2
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| InChIKey |
ISKBDJTZKOCFEE-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