General Information of the Compound
| Compound ID |
CP0579382
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| Compound Name |
3-[4-[4-[4-[3-(1-butylpiperidin-4-yl)propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C35H47N5O
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| Molecular Weight |
553.795
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| Canonical SMILES |
CCCCN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
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| InChI |
InChI=1S/C35H47N5O/c1-2-3-17-38-19-15-28(16-20-38)8-14-35(41)30-9-11-32(12-10-30)40-23-21-39(22-24-40)18-5-4-6-31-27-37-34-13-7-29(26-36)25-33(31)34/h7,9-13,25,27-28,37H,2-6,8,14-24H2,1H3
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| InChIKey |
VMBPWCGWXVRXHC-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