General Information of the Compound
| Compound ID |
CP0060466
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| Compound Name |
4-(1-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H29N5
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| Molecular Weight |
327.476
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| Canonical SMILES |
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H29N5/c1-21-15-2-3-24(11-15)17-7-16(22-18(20)23-17)19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-15,21H,2-6,8-11H2,1H3,(H2,20,22,23)/t12?,13?,14?,15-,19?/m1/s1
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| InChIKey |
OSRIFGUDXAOACA-BCFZYGEVSA-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