General Information of the Compound
| Compound ID |
CP0541887
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| Compound Name |
(1-Benzyl-1H-benzoimidazol-2-yl)-[(R)-2-(4-pyridin-4-yl-piperazine-1-carbonyl)-pyrrolidin-1-yl]-methanone
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| Structure |
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| Formula |
C29H30N6O2
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| Molecular Weight |
494.599
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| Canonical SMILES |
O=C([C@H]1CCCN1C(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C29H30N6O2/c36-28(33-19-17-32(18-20-33)23-12-14-30-15-13-23)26-11-6-16-34(26)29(37)27-31-24-9-4-5-10-25(24)35(27)21-22-7-2-1-3-8-22/h1-5,7-10,12-15,26H,6,11,16-21H2/t26-/m1/s1
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| InChIKey |
BNFHYHIGCYLQMP-AREMUKBSSA-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