General Information of the Compound
| Compound ID |
CP0487575
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benzyl)-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 |
C36H46FN5O3
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| Molecular Weight |
615.794
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| Canonical SMILES |
CCn1nc(Cc2ccc(OC)c(c2)C#N)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/C36H46FN5O3/c1-6-42-32(19-30(39-42)17-24-10-11-33(45-5)27(16-24)20-38)25-12-14-40(15-13-25)21-28-22-41(34(35(43)44)36(2,3)4)23-31(28)26-8-7-9-29(37)18-26/h7-11,16,18-19,25,28,31,34H,6,12-15,17,21-23H2,1-5H3,(H,43,44)/t28-,31+,34-/m0/s1
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| InChIKey |
VWCSGFVUTGZUSN-HWCFGDHISA-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