General Information of the Compound
| Compound ID |
CP0484251
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| Compound Name |
1'-acetyl-N-[(3-chloropyridin-2-yl)methyl]-1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Formula |
C28H28ClFN4O4S
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| Molecular Weight |
571.074
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| Canonical SMILES |
CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ncccc1Cl)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28ClFN4O4S/c1-18-28(11-14-33(15-12-28)19(2)35)23-16-20(27(36)32-17-25-24(29)4-3-13-31-25)5-10-26(23)34(18)39(37,38)22-8-6-21(30)7-9-22/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3,(H,32,36)
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| InChIKey |
XFBXARKGMIBLEF-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