General Information of the Compound
| Compound ID |
CP0140406
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| Compound Name |
5-[(3R)-3-aminopiperidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
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| Formula |
C18H20Cl2N6
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| Molecular Weight |
391.306
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| Canonical SMILES |
N[C@@H]1CCCN(C1)c1cc(NCc2ccc(Cl)cc2Cl)n2nccc2n1
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| InChI |
InChI=1S/C18H20Cl2N6/c19-13-4-3-12(15(20)8-13)10-22-17-9-18(24-16-5-6-23-26(16)17)25-7-1-2-14(21)11-25/h3-6,8-9,14,22H,1-2,7,10-11,21H2/t14-/m1/s1
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| InChIKey |
VDZGKQXWDBAGMR-CQSZACIVSA-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