General Information of the Compound
| Compound ID |
CP0930038
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| Compound Name |
(E)-2-(2-(2-(4-(cyclohexylmethyl)piperazin-1-yl)-3,4-dioxocyclobut-1-enyl)vinyl)benzonitrile
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
N#Cc1ccccc1/C=C/c1c(N2CCN(CC3CCCCC3)CC2)c(=O)c1=O
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| InChI |
InChI=1S/C24H27N3O2/c25-16-20-9-5-4-8-19(20)10-11-21-22(24(29)23(21)28)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h4-5,8-11,18H,1-3,6-7,12-15,17H2/b11-10+
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| InChIKey |
KSWHJMMTIWWPIR-ZHACJKMWSA-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