General Information of the Compound
| Compound ID |
CP0473218
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| Compound Name |
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C27H27ClFN3O3S
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| Molecular Weight |
528.049
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| Canonical SMILES |
CC1N(c2ccc(cc2C11CCNCC1)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27ClFN3O3S/c1-18-27(12-14-30-15-13-27)23-16-19(26(33)31-17-20-4-2-3-5-24(20)28)6-11-25(23)32(18)36(34,35)22-9-7-21(29)8-10-22/h2-11,16,18,30H,12-15,17H2,1H3,(H,31,33)
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| InChIKey |
UASMEFJXHIESFN-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: PT01997, Gonadotropin-releasing hormone receptor
Protein ID: PT01836, Gonadotropin-releasing hormone receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2