General Information of the Compound
| Compound ID |
CP0390560
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| Compound Name |
4-(4-((3,4-dimethoxyphenethyl)carbamoyl)-2-(3-chlorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C32H38ClN5O5
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| Molecular Weight |
608.139
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C32H38ClN5O5/c1-4-34-32(41)38-16-6-15-37(17-18-38)27-11-10-24(21-26(27)36-31(40)23-7-5-8-25(33)20-23)30(39)35-14-13-22-9-12-28(42-2)29(19-22)43-3/h5,7-12,19-21H,4,6,13-18H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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| InChIKey |
FLJRWNUHBACSTE-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