General Information of the Compound
| Compound ID |
CP0487457
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| Compound Name |
1-{2-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-3-(4-piperidin-1-yl-phenyl)-thiourea
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| Structure |
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| Formula |
C26H28BrCl2N5S
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| Molecular Weight |
593.422
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| Canonical SMILES |
Clc1ccc(CN(CCNC(=S)Nc2ccc(cc2)N2CCCCC2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C26H28BrCl2N5S/c27-20-5-11-25(31-17-20)34(18-19-4-10-23(28)24(29)16-19)15-12-30-26(35)32-21-6-8-22(9-7-21)33-13-2-1-3-14-33/h4-11,16-17H,1-3,12-15,18H2,(H2,30,32,35)
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| InChIKey |
LOZIGROCVQDSGY-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