General Information of the Compound
| Compound ID |
CP0191782
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| Compound Name |
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C26H25F2N3O2
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| Molecular Weight |
449.501
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
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| InChIKey |
BWBKKFRRYWSYQR-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
Protein ID: PT01648, Vasopressin V2 receptor
Protein ID: PT01884, Vasopressin V2 receptor