General Information of the Compound
| Compound ID |
CP0131597
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| Compound Name |
2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C21H23N7O
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| Molecular Weight |
389.463
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| Canonical SMILES |
Cc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)NC3(C)CCNC3)c2n1
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| InChI |
InChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
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| InChIKey |
MNULNRKCIHEFMM-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