General Information of the Compound
| Compound ID |
CP0396928
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| Compound Name |
6-[3-[1-[(3R)-4-(3,4-dichlorophenyl)-3-(ethylcarbamoylamino)butyl]piperidin-4-yl]-2-ethyl-6-fluoroindol-1-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C34H38Cl2FN5O3
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| Molecular Weight |
654.614
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| Canonical SMILES |
CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)n(-c2ccc(cn2)C(O)=O)c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H38Cl2FN5O3/c1-3-29-32(26-8-7-24(37)19-30(26)42(29)31-10-6-23(20-39-31)33(43)44)22-11-14-41(15-12-22)16-13-25(40-34(45)38-4-2)17-21-5-9-27(35)28(36)18-21/h5-10,18-20,22,25H,3-4,11-17H2,1-2H3,(H,43,44)(H2,38,40,45)/t25-/m0/s1
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| InChIKey |
CRQFSPXWIUARST-VWLOTQADSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT05277, C-C chemokine receptor type 3
Protein ID: PT04322, Probable C-C chemokine receptor type 3