General Information of the Compound
| Compound ID |
CP0461182
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| Compound Name |
3,5-dichloro-N-(((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)methyl)benzamide
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| Formula |
C21H27Cl2N5O
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| Molecular Weight |
436.387
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| Canonical SMILES |
CN(C)c1cc(C)nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)n1
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| InChI |
InChI=1S/C21H27Cl2N5O/c1-13-8-19(28(2)3)27-21(25-13)26-18-6-4-14(5-7-18)12-24-20(29)15-9-16(22)11-17(23)10-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,18+
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| InChIKey |
ZHTHPOGVZDEGHR-UJKQEGAGSA-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