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TerraQSAR prediction programs; TerraTox databases

From TerraTox databases:
Cephalostatin 5; a natural compound from from the South African (Indian Ocean) marine worm Cephalodiscus gilchristi;

SMILES: O1[C@](C)(CO)C[C@](O)([H])[C@@]12O[C@@]3([H])C=C4[C@]5([H])CC[C@@]6([H])Cc7nc8C[C@]9(C)c%10cc%11O[C@]%12(OC(C)(C)C[C@]%12(O)[H])[C@](C)([H])[C@@]%13([H])C[C@](O)([H])c(c%11%13)c%10CC[C@@]9([H])Cc8nc7C[C@]6(C)[C@@]5([H])C[C@](O)([H])[C@]4(C)[C@@]3([H])[C@]2([H])C
C53H70N2O9; CAS: 121071-11-2; TerraQSAR-LOGP: 1.26; TerraQSAR-OMAR (rat/mouse oral LD50): 14 mg/kg; TerraQSAR-RMIV (rat/mouse intravenous LD50): 12 mg/kg

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Last modified: January 2, 2012.

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