General Information of the Compound
| Compound ID |
CP0577453
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| Compound Name |
3-[4-[4-[4-[3-(1-ethylpiperidin-4-yl)propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C33H43N5O
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| Molecular Weight |
525.741
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| Canonical SMILES |
CCN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
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| InChI |
InChI=1S/C33H43N5O/c1-2-36-17-14-26(15-18-36)7-13-33(39)28-8-10-30(11-9-28)38-21-19-37(20-22-38)16-4-3-5-29-25-35-32-12-6-27(24-34)23-31(29)32/h6,8-12,23,25-26,35H,2-5,7,13-22H2,1H3
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| InChIKey |
DZXZHTHCUKKYDZ-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