General Information of the Compound
| Compound ID |
CP0503820
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| Compound Name |
(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C29H36FN5O2
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| Molecular Weight |
505.638
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3cccnn23)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-19-34(26(29(36)37)14-20-4-1-5-20)18-23(25)17-33-12-9-21(10-13-33)27-16-31-28-8-3-11-32-35(27)28/h2-3,6-8,11,15-16,20-21,23,25-26H,1,4-5,9-10,12-14,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1
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| InChIKey |
BOGAYSMNQZYGTC-SKBVVQJISA-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