General Information of the Compound
| Compound ID |
CP0046037
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| Compound Name |
4-(2,6-Dichlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
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| Structure |
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| Formula |
C18H19Cl2N5
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| Molecular Weight |
376.291
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| Canonical SMILES |
NC1(Cc2c(Cl)cccc2Cl)CCN(CC1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C18H19Cl2N5/c19-14-2-1-3-15(20)13(14)10-18(21)5-8-25(9-6-18)17-12-4-7-22-16(12)23-11-24-17/h1-4,7,11H,5-6,8-10,21H2,(H,22,23,24)
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| InChIKey |
XYWQNCIEXBPHRJ-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