General Information of the Compound
| Compound ID |
CP0518908
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| Compound Name |
2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)acetic acid
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| Structure |
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| Formula |
C24H31N5O3
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| Molecular Weight |
437.544
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| Canonical SMILES |
OC(=O)CNCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C24H31N5O3/c30-23(31)14-25-13-17-8-10-19(11-9-17)28-24(32)21-12-22(27-16-26-21)29(15-18-6-7-18)20-4-2-1-3-5-20/h8-12,16,18,20,25H,1-7,13-15H2,(H,28,32)(H,30,31)
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| InChIKey |
NLYCMXZJKOZPRH-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