General Information of the Compound
| Compound ID |
CP0418950
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| Compound Name |
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]benzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C25H23F2N3O2
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| Molecular Weight |
435.474
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C25H23F2N3O2/c26-20-8-5-9-21(27)23(20)29-25(32)28-16-17-11-13-19(14-12-17)24(31)30-15-4-3-7-18-6-1-2-10-22(18)30/h1-2,5-6,8-14H,3-4,7,15-16H2,(H2,28,29,32)
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| InChIKey |
CHVDHGULKQMPAV-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