General Information of the Compound
| Compound ID |
CP0403583
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| Compound Name |
2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]adamantane-2-carboxylic acid
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| Structure |
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| Formula |
C32H31ClN4O5
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| Molecular Weight |
587.076
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| Canonical SMILES |
COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
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| InChI |
InChI=1S/C32H31ClN4O5/c1-41-26-4-3-5-27(42-2)28(26)29-35-24(16-37(29)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)36-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,36,38)(H,39,40)
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| InChIKey |
YIBAQVBOESAWHM-UHFFFAOYSA-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