General Information of the Compound
| Compound ID |
CP0376849
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| Compound Name |
1-[(2S,4S)-4-[4-(2,4-difluorophenyl)triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
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| Structure |
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| Formula |
C27H29F2N5O2
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| Molecular Weight |
493.558
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| Canonical SMILES |
Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1
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| InChI |
InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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| InChIKey |
GXPGTUGZWGADDE-OFVILXPXSA-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