General Information of the Compound
| Compound ID |
CP0037327
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| Compound Name |
2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)adamantan-1-yl]acetic acid
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2
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| InChI |
InChI=1S/C26H30N4O3/c1-24(2)21(30-20-22(27)28-14-29-23(20)33-24)17-3-5-18(6-4-17)26-10-15-7-16(11-26)9-25(8-15,13-26)12-19(31)32/h3-6,14-16H,7-13H2,1-2H3,(H,31,32)(H2,27,28,29)
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| InChIKey |
VDXLLEOUOOXMHS-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