General Information of the Compound
| Compound ID |
CP0373572
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| Compound Name |
2-((4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzyl)(methyl)amino)acetic acid
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| Structure |
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| Formula |
C25H33N5O3
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| Molecular Weight |
451.571
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| Canonical SMILES |
CN(CC(O)=O)Cc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C25H33N5O3/c1-29(16-24(31)32)14-18-9-11-20(12-10-18)28-25(33)22-13-23(27-17-26-22)30(15-19-7-8-19)21-5-3-2-4-6-21/h9-13,17,19,21H,2-8,14-16H2,1H3,(H,28,33)(H,31,32)
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| InChIKey |
QDTYAPJGCLKCBC-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