General Information of the Compound
| Compound ID |
CP0498398
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| Compound Name |
3-[4-[4-[4-[3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C38H44ClN5O
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| Molecular Weight |
622.257
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| Canonical SMILES |
Clc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
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| InChI |
InChI=1S/C38H44ClN5O/c39-34-6-3-4-31(24-34)28-43-18-15-29(16-19-43)8-14-38(45)32-9-11-35(12-10-32)44-22-20-42(21-23-44)17-2-1-5-33-27-41-37-13-7-30(26-40)25-36(33)37/h3-4,6-7,9-13,24-25,27,29,41H,1-2,5,8,14-23,28H2
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| InChIKey |
NANNJRIDPXNQMG-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