General Information of the Compound
| Compound ID |
CP0447017
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| Compound Name |
2-amino-4-(4-phenylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H17N7
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| Molecular Weight |
319.372
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| Canonical SMILES |
Nc1nc(N2CCN(CC2)c2ccccc2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C17H17N7/c18-10-12-11-20-15-14(12)16(22-17(19)21-15)24-8-6-23(7-9-24)13-4-2-1-3-5-13/h1-5,11H,6-9H2,(H3,19,20,21,22)
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| InChIKey |
NAGGDTHCTOVRBH-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