General Information of the Compound
| Compound ID |
CP0204232
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| Compound Name |
4-phenyl-1-[(2S,4S)-4-[4-(piperazin-1-ylmethyl)triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C26H37N7O2
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| Molecular Weight |
479.629
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| Canonical SMILES |
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1
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| InChI |
InChI=1S/C26H37N7O2/c34-25(10-6-9-21-7-2-1-3-8-21)32-20-23(17-24(32)26(35)31-13-4-5-14-31)33-19-22(28-29-33)18-30-15-11-27-12-16-30/h1-3,7-8,19,23-24,27H,4-6,9-18,20H2/t23-,24-/m0/s1
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| InChIKey |
ZSJCNAYNTHHHOM-ZEQRLZLVSA-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