General Information of the Compound
| Compound ID |
CP0352403
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| Compound Name |
CHEMBL4167221
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| Formula |
C27H38N4
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| Molecular Weight |
418.629
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| Canonical SMILES |
NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C27H38N4/c28-16-20-10-12-21(13-11-20)18-31(26-9-3-7-22-8-4-14-29-27(22)26)19-25-15-23-5-1-2-6-24(23)17-30-25/h1-2,4-6,8,14,20-21,25-26,30H,3,7,9-13,15-19,28H2/t20-,21-,25-,26+/m1/s1
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| InChIKey |
GRSKXOFKOCSQIF-ZEZQGNGESA-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