General Information of the Compound
| Compound ID |
CP0344064
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| Compound Name |
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methylpyridin-4-yl)sulfanyl-3-methylpyrimidin-4-one
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| Structure |
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| Formula |
C20H27ClN6O2S
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| Molecular Weight |
450.996
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C)c3Cl)c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C20H27ClN6O2S/c1-11-14(21)13(4-7-24-11)30-15-17(23)25-19(26(3)18(15)28)27-8-5-20(6-9-27)10-29-12(2)16(20)22/h4,7,12,16H,5-6,8-10,22-23H2,1-3H3/t12-,16+/m0/s1
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| InChIKey |
PMWMMYBAECEPMB-BLLLJJGKSA-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