General Information of the Compound
| Compound ID |
CP0562285
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| Compound Name |
(1-methylcyclopropyl) 4-[3-[[3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]oxy]propyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H36F6N4O5
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| Molecular Weight |
682.662
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2cccnc2n(C)c1=O
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| InChI |
InChI=1S/C33H36F6N4O5/c1-31(10-11-31)48-30(46)43-13-8-20(9-14-43)6-5-15-47-26-24-7-4-12-40-27(24)42(3)29(45)25(26)28(44)41(2)19-21-16-22(32(34,35)36)18-23(17-21)33(37,38)39/h4,7,12,16-18,20H,5-6,8-11,13-15,19H2,1-3H3
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| InChIKey |
QPWBCOAIDJEJNY-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