General Information of the Compound
| Compound ID |
CP0576443
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| Compound Name |
CHEMBL5185201
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| Formula |
C29H43N5O3S
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| Molecular Weight |
541.762
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| Canonical SMILES |
COC(=O)C1CCC(CC1)C(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](C2)n1c(C)nnc1C(C)C)c1cccs1
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| InChI |
InChI=1S/C29H43N5O3S/c1-18(2)27-32-31-19(3)34(27)24-16-22-11-12-23(17-24)33(22)14-13-25(26-6-5-15-38-26)30-28(35)20-7-9-21(10-8-20)29(36)37-4/h5-6,15,18,20-25H,7-14,16-17H2,1-4H3,(H,30,35)/t20?,21?,22-,23+,24-,25-/m0/s1
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| InChIKey |
ARYZNEKPRLHTGP-DALQMPMDSA-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