General Information of the Compound
| Compound ID |
CP0352402
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| Compound Name |
CHEMBL4161850
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| Formula |
C25H34N4
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| Molecular Weight |
390.575
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H34N4/c26-21-10-12-23(13-11-21)29(24-9-3-7-18-8-4-14-27-25(18)24)17-22-15-19-5-1-2-6-20(19)16-28-22/h1-2,4-6,8,14,21-24,28H,3,7,9-13,15-17,26H2/t21-,22-,23+,24+/m1/s1
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| InChIKey |
HMEWDDRNEULPCX-LWSSLDFYSA-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