General Information of the Compound
| Compound ID |
CP0057003
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| Compound Name |
4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
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| Formula |
C20H26ClN5O
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| Molecular Weight |
387.915
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| Canonical SMILES |
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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| InChIKey |
JCSAJCBJJWFNIO-CALCHBBNSA-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