General Information of the Compound
| Compound ID |
CP0406573
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| Compound Name |
(3S)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-N-phenylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C25H36N6O
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| Molecular Weight |
436.604
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| Canonical SMILES |
NCCCCN(C[C@H]1CN(CCN1)C(=O)Nc1ccccc1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H36N6O/c26-13-4-5-16-30(23-12-6-8-20-9-7-14-28-24(20)23)18-22-19-31(17-15-27-22)25(32)29-21-10-2-1-3-11-21/h1-3,7,9-11,14,22-23,27H,4-6,8,12-13,15-19,26H2,(H,29,32)/t22-,23-/m0/s1
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| InChIKey |
XQGSBOFMVILXJJ-GOTSBHOMSA-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