General Information of the Compound
| Compound ID |
CP0493436
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| Compound Name |
CHEMBL4061744
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| Formula |
C25H31ClN2O8S
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| Molecular Weight |
555.049
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| Canonical SMILES |
Oc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(=O)NCCS(O)(=O)=O)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H31ClN2O8S/c26-20-5-7-21(8-6-20)28(22-9-11-23(29)12-10-22)25(31)36-16-19-3-1-18(2-4-19)15-35-17-24(30)27-13-14-37(32,33)34/h5-12,18-19,29H,1-4,13-17H2,(H,27,30)(H,32,33,34)/t18-,19-
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| InChIKey |
VDVLNXJCVIQQEP-WGSAOQKQSA-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