General Information of the Compound
| Compound ID |
CP0387677
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| Compound Name |
CHEMBL1834635
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| Formula |
C27H30F3N5O3
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| Molecular Weight |
529.563
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C27H30F3N5O3/c1-34-22-8-5-18(27(28,29)30)11-21(22)26(33-34)31-12-25(36)32-19-13-35(14-19)20-6-2-16(3-7-20)17-4-9-23-24(10-17)38-15-37-23/h4-5,8-11,16,19-20H,2-3,6-7,12-15H2,1H3,(H,31,33)(H,32,36)/t16-,20+
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| InChIKey |
QPEQRQQPWVTPFP-MOBUCQHHSA-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