General Information of the Compound
| Compound ID |
CP0553392
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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-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide
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| Formula |
C52H66ClN9O8S
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| Molecular Weight |
1012.675
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCCCCCNc3cccc4C(=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/C52H66ClN9O8S/c1-32(2)70-43-30-37(34(5)29-41(43)58-52-56-31-38(53)48(60-52)57-39-16-10-11-18-44(39)71(68,69)33(3)4)35-21-26-61(27-22-35)28-23-45(63)55-25-13-9-7-6-8-12-24-54-40-17-14-15-36-47(40)51(67)62(50(36)66)42-19-20-46(64)59-49(42)65/h10-11,14-18,29-33,35,42,54H,6-9,12-13,19-28H2,1-5H3,(H,55,63)(H,59,64,65)(H2,56,57,58,60)
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| InChIKey |
XRPHCGDUUIKCQP-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