General Information of the Compound
| Compound ID |
CP0431375
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| Compound Name |
3-Chloro-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
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| Formula |
C23H26ClN5O
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| Molecular Weight |
423.948
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C23H26ClN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+
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| InChIKey |
PCMKFHUKCPUDQK-HDICACEKSA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1