General Information of the Compound
| Compound ID |
CP0384572
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| Compound Name |
CHEMBL1834717
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| Formula |
C31H37F3N6O4
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| Molecular Weight |
614.669
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| Canonical SMILES |
CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C31H37F3N6O4/c1-30(2,3)37-29(42)40-24-10-7-20(31(32,33)34)13-23(24)28(38-40)35-14-27(41)36-21-15-39(16-21)22-8-4-18(5-9-22)19-6-11-25-26(12-19)44-17-43-25/h6-7,10-13,18,21-22H,4-5,8-9,14-17H2,1-3H3,(H,35,38)(H,36,41)(H,37,42)/t18-,22+
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| InChIKey |
HYZGGNZNVAYPFO-CXGRPWHSSA-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