General Information of the Compound
| Compound ID |
CP0476040
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| Compound Name |
methyl 3-[5-acetamido-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-1-yl]propanoate
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| Structure |
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| Formula |
C24H23N7O3
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| Molecular Weight |
457.494
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| Canonical SMILES |
COC(=O)CCn1cc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)c2cc(NC(C)=O)ccc12
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| InChI |
InChI=1S/C24H23N7O3/c1-14(32)27-17-5-6-21-18(9-17)19(13-30(21)8-7-23(33)34-2)20-10-22(28-16-3-4-16)31-24(29-20)15(11-25)12-26-31/h5-6,9-10,12-13,16,28H,3-4,7-8H2,1-2H3,(H,27,32)
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| InChIKey |
IBXUXSHNNSYWQC-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