General Information of the Compound
| Compound ID |
CP0433270
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| Compound Name |
1-({4-[(5-fluoro-2-methylbenzene)amido]-2-methoxyphenyl}carbonyl)-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-ene-3'-carboxylic acid
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| Structure |
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| Formula |
C31H29FN2O5
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| Molecular Weight |
528.58
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| Canonical SMILES |
COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(CCC(=C2)C(O)=O)Cc2ccccc12
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| InChI |
InChI=1S/C31H29FN2O5/c1-19-7-8-22(32)15-25(19)28(35)33-23-9-10-24(27(16-23)39-2)29(36)34-14-13-31(12-11-21(18-31)30(37)38)17-20-5-3-4-6-26(20)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,33,35)(H,37,38)
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| InChIKey |
ZQWDFLJKWPBHNX-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor