General Information of the Compound
| Compound ID |
CP0540284
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| Compound Name |
4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophene-2-carboxamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C28H31Cl2N5O3S
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| Molecular Weight |
588.561
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-13-4-12-34(14-15-35)24-9-7-20(17-23(24)33-27(37)25-5-3-16-39-25)26(36)32-11-10-19-6-8-21(29)18-22(19)30/h3,5-9,16-18H,2,4,10-15H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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| InChIKey |
KOPBAVHRODXFII-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