General Information of the Compound
| Compound ID |
CP0138730
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| Compound Name |
4-N-[6-[2-(2-chloro-6-methylanilino)benzimidazol-1-yl]pyrimidin-4-yl]-5-methyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C29H31ClN10O
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| Molecular Weight |
571.089
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| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ncnc(NCCN3CCOCC3)c2C)ncn1
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| InChI |
InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)26(19)38-29-36-22-8-3-4-9-23(22)40(29)25-16-24(32-17-33-25)37-28-20(2)27(34-18-35-28)31-10-11-39-12-14-41-15-13-39/h3-9,16-18H,10-15H2,1-2H3,(H,36,38)(H2,31,32,33,34,35,37)
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| InChIKey |
YBWMFEGKCNSVBL-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