General Information of the Compound
| Compound ID |
CP0436826
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| Compound Name |
4-(1-(2-((3,4-dichlorophenyl)(methyl)amino)acetyl)-2-(pyrrolidin-1-ylmethyl)piperazine-4-carbonyl)benzonitrile
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| Structure |
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| Formula |
C26H29Cl2N5O2
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| Molecular Weight |
514.457
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccc(cc1)C#N)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H29Cl2N5O2/c1-30(21-8-9-23(27)24(28)14-21)18-25(34)33-13-12-32(17-22(33)16-31-10-2-3-11-31)26(35)20-6-4-19(15-29)5-7-20/h4-9,14,22H,2-3,10-13,16-18H2,1H3
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| InChIKey |
SROYOOALXHIGHJ-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