General Information of the Compound
| Compound ID |
CP0443418
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| Compound Name |
1-[[6-chloro-4-(2,6-dimethoxyphenyl)quinazoline-2-carbonyl]amino]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C24H24ClN3O5
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| Molecular Weight |
469.925
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| Canonical SMILES |
COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)NC1(CCCCC1)C(O)=O
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| InChI |
InChI=1S/C24H24ClN3O5/c1-32-17-7-6-8-18(33-2)19(17)20-15-13-14(25)9-10-16(15)26-21(27-20)22(29)28-24(23(30)31)11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3,(H,28,29)(H,30,31)
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| InChIKey |
DXXJCGHFVLGJMM-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
Protein ID: PT02142, Neurotensin receptor type 1
Protein ID: PT05740, Neurotensin receptor type 2