General Information of the Compound
| Compound ID |
CP0431549
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| Compound Name |
[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]piperazin-1-yl]-(furan-2-yl)methanone
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| Structure |
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| Formula |
C23H33N5O2
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| Molecular Weight |
411.55
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| Canonical SMILES |
NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccco1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C23H33N5O2/c24-10-1-2-13-27(20-8-3-6-18-7-4-11-26-22(18)20)16-19-17-28(14-12-25-19)23(29)21-9-5-15-30-21/h4-5,7,9,11,15,19-20,25H,1-3,6,8,10,12-14,16-17,24H2/t19-,20+/m1/s1
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| InChIKey |
QNPWTRQESWAOET-UXHICEINSA-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