General Information of the Compound
| Compound ID |
CP0261286
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| Compound Name |
3-[4-[4-(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-8-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C29H32N6
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| Molecular Weight |
464.617
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| Canonical SMILES |
Nc1c2CCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
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| InChI |
InChI=1S/C29H32N6/c30-18-20-10-11-24-23(17-20)21(19-32-24)5-1-2-12-34-13-15-35(16-14-34)27-9-4-8-26-28(27)29(31)22-6-3-7-25(22)33-26/h4,8-11,17,19,32H,1-3,5-7,12-16H2,(H2,31,33)
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| InChIKey |
CCBFOQGVIFFPHI-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter