General Information of the Compound
| Compound ID |
CP0497135
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| Compound Name |
1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-3-(4-piperidin-1-yl-phenyl)-thiourea
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| Structure |
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| Formula |
C27H30BrCl2N5S
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| Molecular Weight |
607.449
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| Canonical SMILES |
Clc1ccc(CN(CCCNC(=S)Nc2ccc(cc2)N2CCCCC2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C27H30BrCl2N5S/c28-21-6-12-26(32-18-21)35(19-20-5-11-24(29)25(30)17-20)16-4-13-31-27(36)33-22-7-9-23(10-8-22)34-14-2-1-3-15-34/h5-12,17-18H,1-4,13-16,19H2,(H2,31,33,36)
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| InChIKey |
XQUKWVAFDMQERR-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