General Information of the Compound
| Compound ID |
CP0388074
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| Compound Name |
CHEMBL540981
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| Formula |
C34H53N5O4S
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| Molecular Weight |
627.896
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)c1=O
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| InChI |
InChI=1S/C34H53N5O4S/c1-25(2)39-32-12-8-7-11-27(32)21-31(34(39)41)33(40)36-28-22-29-13-14-30(23-28)38(29)18-10-6-4-5-9-17-37-19-15-26(16-20-37)24-35-44(3,42)43/h7-8,11-12,21,25-26,28-30,35H,4-6,9-10,13-20,22-24H2,1-3H3,(H,36,40)/t28-,29+,30-
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| InChIKey |
UTTJQYGVCBXTDB-RLPLKTQASA-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