General Information of the Compound
| Compound ID |
CP0453435
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| Compound Name |
(R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-pyridin-3-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid
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| Structure |
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| Formula |
C32H42FN5O2
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| Molecular Weight |
547.719
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| Canonical SMILES |
CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1
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| InChI |
InChI=1S/C32H42FN5O2/c1-4-38-30(17-28(35-38)15-23-7-6-12-34-18-23)24-10-13-36(14-11-24)19-26-20-37(31(22(2)3)32(39)40)21-29(26)25-8-5-9-27(33)16-25/h5-9,12,16-18,22,24,26,29,31H,4,10-11,13-15,19-21H2,1-3H3,(H,39,40)/t26-,29+,31+/m0/s1
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| InChIKey |
JJPCMURNTDRPSJ-QRLJAKNQSA-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