General Information of the Compound
| Compound ID |
CP0442404
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| Compound Name |
(R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
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| Structure |
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| Formula |
C26H27FN4O2
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| Molecular Weight |
446.526
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1cc2cccnc2cc1NC(C)=O
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| InChI |
InChI=1S/C26H27FN4O2/c1-18-16-30(17-20-5-8-23(27)9-6-20)12-13-31(18)26(33)10-7-22-14-21-4-3-11-28-24(21)15-25(22)29-19(2)32/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,29,32)/b10-7+/t18-/m1/s1
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| InChIKey |
MVIVWOSZVYNMQN-RUJXFNLJSA-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT03048, C-C chemokine receptor type 1