General Information of the Compound
| Compound ID |
CP0547766
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| Compound Name |
tert-butyl 7-[[4-(2-bromo-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
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| Formula |
C29H35BrFN5O4S
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| Molecular Weight |
648.599
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(CCN(C3)C(=O)OC(C)(C)C)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
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| InChI |
InChI=1S/C29H35BrFN5O4S/c1-5-39-26(37)22-21(15-35-11-8-29(16-35)9-12-36(17-29)27(38)40-28(2,3)4)33-24(25-32-10-13-41-25)34-23(22)19-7-6-18(31)14-20(19)30/h6-7,10,13-14,23H,5,8-9,11-12,15-17H2,1-4H3,(H,33,34)
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| InChIKey |
CFLAUADCAKQMJD-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