General Information of the Compound
| Compound ID |
CP0545324
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| Compound Name |
4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C21H23Cl2N5O2
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| Molecular Weight |
448.354
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C#N)[C@@H]1N
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| InChI |
InChI=1S/C21H23Cl2N5O2/c1-12-18(25)21(11-30-12)6-8-27(9-7-21)19-14(10-24)20(29)28(13(2)26-19)16-5-3-4-15(22)17(16)23/h3-5,12,18H,6-9,11,25H2,1-2H3/t12-,18+/m0/s1
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| InChIKey |
UVIYIHKXWCQBNH-KPZWWZAWSA-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