General Information of the Compound
| Compound ID |
CP0509379
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| Compound Name |
CHEMBL1829311
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| Formula |
C21H31N3O4S2
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| Molecular Weight |
453.63
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| Canonical SMILES |
CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1
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| InChI |
InChI=1S/C21H31N3O4S2/c1-21(2)12-20(26)24(17-6-4-5-7-18(17)29-21)14-19(25)23-16-10-8-15(9-11-16)13-22-30(3,27)28/h4-7,15-16,22H,8-14H2,1-3H3,(H,23,25)/t15-,16-
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| InChIKey |
NPIAXIMPEGZVCZ-WKILWMFISA-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