General Information of the Compound
| Compound ID |
CP0007744
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| Compound Name |
[(1R,3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]cyclopentyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C22H30N8O2
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| Molecular Weight |
438.536
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(N[C@H]3CC[C@H](C3)C(=O)N3CCOCC3)ncnc2n1C
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| InChI |
InChI=1S/C22H30N8O2/c1-4-30-14(2)17(12-25-30)20-27-18-19(23-13-24-21(18)28(20)3)26-16-6-5-15(11-16)22(31)29-7-9-32-10-8-29/h12-13,15-16H,4-11H2,1-3H3,(H,23,24,26)/t15-,16+/m1/s1
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| InChIKey |
VSJXIHXRZAHWJD-CVEARBPZSA-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