General Information of the Compound
| Compound ID |
CP0384845
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| Compound Name |
CHEMBL4171643
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| Formula |
C26H36N4
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| Molecular Weight |
404.602
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| Canonical SMILES |
N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C26H36N4/c27-23-12-10-19(11-13-23)17-30(25-9-3-7-20-8-4-14-28-26(20)25)18-24-15-21-5-1-2-6-22(21)16-29-24/h1-2,4-6,8,14,19,23-25,29H,3,7,9-13,15-18,27H2/t19-,23-,24-,25+/m1/s1
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| InChIKey |
GSKIEMCFCQSCTJ-KXMWUTRISA-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: PT02059, C-X-C chemokine receptor type 4
Protein ID: PT01266, Muscarinic acetylcholine receptor M3