General Information of the Compound
| Compound ID |
CP0442397
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| Compound Name |
6-chloro-4-(1-(naphthalen-2-ylmethyl)piperidin-4-ylamino)-1-(2,2,2-trifluoroethyl)quinazolin-2(1H)-one
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| Structure |
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| Formula |
C26H24ClF3N4O
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| Molecular Weight |
500.952
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| Canonical SMILES |
FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
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| InChI |
InChI=1S/C26H24ClF3N4O/c27-20-7-8-23-22(14-20)24(32-25(35)34(23)16-26(28,29)30)31-21-9-11-33(12-10-21)15-17-5-6-18-3-1-2-4-19(18)13-17/h1-8,13-14,21H,9-12,15-16H2,(H,31,32,35)
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| InChIKey |
PHCHRPWAMGPRTQ-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2