General Information of the Compound
| Compound ID |
CP0109841
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| Compound Name |
2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C16H19N5O2
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| Molecular Weight |
313.361
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| Canonical SMILES |
O=C1NCCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1
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| InChI |
InChI=1S/C16H19N5O2/c22-15-11-9-14(20-12(11)1-5-17-15)13-2-6-18-16(21-13)19-10-3-7-23-8-4-10/h2,6,9-10,20H,1,3-5,7-8H2,(H,17,22)(H,18,19,21)
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| InChIKey |
WOLGBBFUAJJEOS-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