General Information of the Compound
| Compound ID |
CP0494294
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| Compound Name |
CHEMBL1834796
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| Formula |
C24H29F3N6O2S
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| Molecular Weight |
522.597
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| Canonical SMILES |
OCCn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C24H29F3N6O2S/c25-24(26,27)16-3-6-20-19(11-16)22(31-33(20)8-9-34)29-12-21(35)30-17-13-32(14-17)18-4-1-15(2-5-18)23-28-7-10-36-23/h3,6-7,10-11,15,17-18,34H,1-2,4-5,8-9,12-14H2,(H,29,31)(H,30,35)/t15-,18+
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| InChIKey |
UZVFZTWEBLXYKJ-RHNCMZPLSA-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