General Information of the Compound
| Compound ID |
CP0462208
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| Compound Name |
8-N-(cyclopropylmethyl)-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
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| Structure |
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| Formula |
C21H26N8
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| Molecular Weight |
390.495
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| Canonical SMILES |
Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
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| InChI |
InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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| InChIKey |
YOLJYZUKAHEMMW-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