General Information of the Compound
| Compound ID |
CP0506535
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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-(8-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)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H44FN7O4/c1-23-18-24(19-26-21-37-39-31(23)26)20-30(33(44)41-14-8-27(9-15-41)40-12-3-2-4-13-40)47-35(46)42-16-10-28(11-17-42)43-22-25-6-5-7-29(36)32(25)38-34(43)45/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,39)(H,38,45)/t30-/m1/s1
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| InChIKey |
WAWIKEWBQDINBR-SSEXGKCCSA-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