General Information of the Compound
| Compound ID |
CP0191570
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| Compound Name |
4-N-(2,3-dihydro-1H-inden-2-yl)-6-piperazin-1-yl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H25N7
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| Molecular Weight |
387.491
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| Canonical SMILES |
C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
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| InChI |
InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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| InChIKey |
REBGSWBYORIRGA-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