General Information of the Compound
| Compound ID |
CP0498751
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| Compound Name |
CHEMBL1834783
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| Formula |
C30H35F3N4O3
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| Molecular Weight |
556.629
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CN=C1NC(Cc2ccccc2)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C30H35F3N4O3/c1-2-40-29(39)20-8-11-23(12-9-20)37-17-22(18-37)35-27(38)16-34-28-25-15-21(30(31,32)33)10-13-24(25)26(36-28)14-19-6-4-3-5-7-19/h3-7,10,13,15,20,22-23,26H,2,8-9,11-12,14,16-18H2,1H3,(H,34,36)(H,35,38)/t20-,23+,26?
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| InChIKey |
MYRGKAVLHHTTPL-HXNQRKCUSA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2