General Information of the Compound
| Compound ID |
CP0481363
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| Compound Name |
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C28H29N7OS
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| Molecular Weight |
511.655
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| Canonical SMILES |
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)c2ncccn2)CC1)-c1cccs1
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| InChI |
InChI=1S/C28H29N7OS/c29-22-6-4-20(24-3-1-16-37-24)17-23(22)33-26(36)21-5-7-25(32-18-21)34-13-8-28(9-14-34)10-15-35(19-28)27-30-11-2-12-31-27/h1-7,11-12,16-18H,8-10,13-15,19,29H2,(H,33,36)
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| InChIKey |
NFQREKHBSNHJAN-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