General Information of the Compound
| Compound ID |
CP0087854
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| Compound Name |
4-phenyl-1-[(2S,4S)-4-(4-pyridin-2-yltriazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1
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| InChI |
InChI=1S/C26H30N6O2/c33-25(13-8-11-20-9-2-1-3-10-20)31-18-21(17-24(31)26(34)30-15-6-7-16-30)32-19-23(28-29-32)22-12-4-5-14-27-22/h1-5,9-10,12,14,19,21,24H,6-8,11,13,15-18H2/t21-,24-/m0/s1
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| InChIKey |
OMBBTNGSWHFDOL-URXFXBBRSA-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