General Information of the Compound
| Compound ID |
CP0403454
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| Compound Name |
4-(4-((3-fluorophenethyl)carbamoyl)-2-(3-chlorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C30H33ClFN5O3
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| Molecular Weight |
566.077
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(F)c1
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| InChI |
InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-15-5-14-36(16-17-37)27-11-10-23(28(38)34-13-12-21-6-3-9-25(32)18-21)20-26(27)35-29(39)22-7-4-8-24(31)19-22/h3-4,6-11,18-20H,2,5,12-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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| InChIKey |
LRVRIBSUXXOWLV-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