General Information of the Compound
| Compound ID |
CP0509700
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| Compound Name |
(R)-3-Cyclobutyl-2-[(3S,4S)-3-(4-imidazo[1,2-a]pyrimidin-2-yl-piperidin-1-ylmethyl)-4-phenyl-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)c2cn3cccnc3n2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C29H37N5O2/c35-28(36)27(16-21-6-4-7-21)34-18-24(25(19-34)22-8-2-1-3-9-22)17-32-14-10-23(11-15-32)26-20-33-13-5-12-30-29(33)31-26/h1-3,5,8-9,12-13,20-21,23-25,27H,4,6-7,10-11,14-19H2,(H,35,36)/t24-,25+,27+/m0/s1
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| InChIKey |
NSCGBJOIKWLWMZ-ZWEKWIFMSA-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