General Information of the Compound
| Compound ID |
CP0380189
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| Compound Name |
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3R)-3-(dimethylamino)piperidin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C25H31N9O
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| Molecular Weight |
473.585
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| Canonical SMILES |
CN(C)[C@@H]1CCCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
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| InChI |
InChI=1S/C25H31N9O/c1-16(35)28-21-11-19(8-9-22(21)33-10-4-5-20(15-33)32(2)3)29-23-12-24(30-18-6-7-18)34-25(31-23)17(13-26)14-27-34/h8-9,11-12,14,18,20,30H,4-7,10,15H2,1-3H3,(H,28,35)(H,29,31)/t20-/m1/s1
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| InChIKey |
CVNCHPZYIUWBTP-HXUWFJFHSA-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