General Information of the Compound
| Compound ID |
CP0447420
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| Compound Name |
2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetic acid
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| Structure |
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| Formula |
C24H31N5O5S
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| Molecular Weight |
501.609
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCC(O)=O
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| InChI |
InChI=1S/C24H31N5O5S/c1-16-11-19(35(33,34)27-13-23(30)31)9-10-20(16)28-24(32)21-12-22(26-15-25-21)29(14-17-7-8-17)18-5-3-2-4-6-18/h9-12,15,17-18,27H,2-8,13-14H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
RPSCCGWFQDERCL-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