General Information of the Compound
| Compound ID |
CP0434057
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| Compound Name |
2-[(3'-cyano-biphenyl-4-yl)-(1-cyclopropylmethyl-piperidin-4-ylidene)-methyl]-1H-benzoimidazole-5-carbonitrile
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| Structure |
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| Formula |
C31H27N5
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| Molecular Weight |
469.592
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| Canonical SMILES |
N#Cc1cccc(c1)-c1ccc(cc1)C(c1nc2ccc(cc2[nH]1)C#N)=C1CCN(CC2CC2)CC1
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| InChI |
InChI=1S/C31H27N5/c32-18-22-2-1-3-27(16-22)24-7-9-25(10-8-24)30(26-12-14-36(15-13-26)20-21-4-5-21)31-34-28-11-6-23(19-33)17-29(28)35-31/h1-3,6-11,16-17,21H,4-5,12-15,20H2,(H,34,35)
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| InChIKey |
YVBICYBCKCZIJK-UHFFFAOYSA-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