General Information of the Compound
| Compound ID |
CP0506525
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| Compound Name |
(R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(7-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C35H44FN7O4
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| Molecular Weight |
645.78
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H44FN7O4/c1-23-17-24(18-26-21-37-39-32(23)26)19-31(33(44)41-13-7-28(8-14-41)40-11-3-2-4-12-40)47-35(46)42-15-9-29(10-16-42)43-22-25-5-6-27(36)20-30(25)38-34(43)45/h5-6,17-18,20-21,28-29,31H,2-4,7-16,19,22H2,1H3,(H,37,39)(H,38,45)/t31-/m1/s1
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| InChIKey |
OMYMZQIZNWNMOZ-WJOKGBTCSA-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