General Information of the Compound
| Compound ID |
CP0565432
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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]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]propanamide
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| Formula |
C52H64ClN9O10S
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| Molecular Weight |
1042.657
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCCCNC(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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| InChI |
InChI=1S/C52H64ClN9O10S/c1-31(2)72-42-28-36(33(5)27-39(42)58-52-56-29-37(53)48(60-52)57-38-14-8-9-16-43(38)73(69,70)32(3)4)34-19-24-61(25-20-34)26-21-44(63)54-22-10-6-7-11-23-55-46(65)30-71-41-15-12-13-35-47(41)51(68)62(50(35)67)40-17-18-45(64)59-49(40)66/h8-9,12-16,27-29,31-32,34,40H,6-7,10-11,17-26,30H2,1-5H3,(H,54,63)(H,55,65)(H,59,64,66)(H2,56,57,58,60)
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| InChIKey |
QCPQCHDYVMUQOG-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