General Information of the Compound
| Compound ID |
CP0486013
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| Compound Name |
(R)-3-Cyclobutyl-2-[(3S,4S)-3-phenyl-4-(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-propionic acid
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| Structure |
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| Formula |
C29H37N5O2
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| Molecular Weight |
487.648
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2nnc3ccccn23)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C29H37N5O2/c35-29(36)26(17-21-7-6-8-21)33-19-24(25(20-33)22-9-2-1-3-10-22)18-32-15-12-23(13-16-32)28-31-30-27-11-4-5-14-34(27)28/h1-5,9-11,14,21,23-26H,6-8,12-13,15-20H2,(H,35,36)/t24-,25+,26+/m0/s1
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| InChIKey |
JOALWEVNUULNIL-JIMJEQGWSA-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