General Information of the Compound
| Compound ID |
CP0391414
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| Compound Name |
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid
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| Structure |
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| Formula |
C31H42FN5O2
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| Molecular Weight |
535.708
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C31H42FN5O2/c32-26-7-2-6-24(17-26)28-21-36(29(30(38)39)16-22-4-1-5-22)20-25(28)19-35-14-10-27(11-15-35)37(18-23-8-9-23)31-33-12-3-13-34-31/h2-3,6-7,12-13,17,22-23,25,27-29H,1,4-5,8-11,14-16,18-21H2,(H,38,39)/t25-,28+,29+/m0/s1
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| InChIKey |
IJCIMXNTVMTNCZ-RFYMFKDESA-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