General Information of the Compound
| Compound ID |
CP0569866
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| Compound Name |
3-[4-[4-[4-[3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C39H47N5O
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| Molecular Weight |
601.839
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| Canonical SMILES |
Cc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
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| InChI |
InChI=1S/C39H47N5O/c1-30-5-4-6-33(25-30)29-43-19-16-31(17-20-43)9-15-39(45)34-10-12-36(13-11-34)44-23-21-42(22-24-44)18-3-2-7-35-28-41-38-14-8-32(27-40)26-37(35)38/h4-6,8,10-14,25-26,28,31,41H,2-3,7,9,15-24,29H2,1H3
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| InChIKey |
SMCSEHJSXYYCCE-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