General Information of the Compound
| Compound ID |
CP0555517
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| Compound Name |
3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoic acid
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| Formula |
C31H40ClN5O5S
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| Molecular Weight |
630.211
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(O)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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| InChI |
InChI=1S/C31H40ClN5O5S/c1-19(2)42-27-17-23(22-10-13-37(14-11-22)15-12-29(38)39)21(5)16-26(27)35-31-33-18-24(32)30(36-31)34-25-8-6-7-9-28(25)43(40,41)20(3)4/h6-9,16-20,22H,10-15H2,1-5H3,(H,38,39)(H2,33,34,35,36)
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| InChIKey |
RLEWZRULHYEKFQ-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