General Information of the Compound
| Compound ID |
CP0507403
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| Compound Name |
N-[[4-[5-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]pentoxy]phenyl]methyl]-N-methylprop-2-yn-1-amine
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| Formula |
C35H41ClN4O
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| Molecular Weight |
569.193
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| Canonical SMILES |
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
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| InChI |
InChI=1S/C35H41ClN4O/c1-3-18-37(2)27-29-13-15-32(16-14-29)41-25-6-4-5-19-38-21-23-39(24-22-38)34-11-8-12-35-33(34)17-20-40(35)28-30-9-7-10-31(36)26-30/h1,7-17,20,26H,4-6,18-19,21-25,27-28H2,2H3
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| InChIKey |
BNIGQYLCNLIKKI-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