General Information of the Compound
| Compound ID |
CP0491833
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| Compound Name |
(R)-2-[(2S,3S)-3-[4-(5-Benzo[1,3]dioxol-5-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid
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| Structure |
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| Formula |
C35H45FN4O4
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| Molecular Weight |
604.767
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| Canonical SMILES |
CCn1nc(Cc2ccc3OCOc3c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
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| InChI |
InChI=1S/C35H45FN4O4/c1-5-40-30(18-28(37-40)15-23-9-10-31-32(16-23)44-22-43-31)24-11-13-38(14-12-24)19-26-20-39(33(34(41)42)35(2,3)4)21-29(26)25-7-6-8-27(36)17-25/h6-10,16-18,24,26,29,33H,5,11-15,19-22H2,1-4H3,(H,41,42)/t26-,29+,33-/m0/s1
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| InChIKey |
FEKNIQDVBGNYIH-NEUJRDPRSA-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