General Information of the Compound
| Compound ID |
CP0415186
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| Compound Name |
6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
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| Structure |
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| Formula |
C25H27N5O2S
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| Molecular Weight |
461.591
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| Canonical SMILES |
CC(=O)N1CCC2(CCN(C2)c2ccc(cn2)C(=O)Nc2cc(ccc2N)-c2cccs2)C1
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| InChI |
InChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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| InChIKey |
NMYJHEVKOMVYHA-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