General Information of the Compound
| Compound ID |
CP0415290
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| Compound Name |
Cloprostenol Sodium
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| Structure |
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| Formula |
C22H28ClNaO6
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| Molecular Weight |
446.903
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| Canonical SMILES |
[Na+].OC(COc1cccc(Cl)c1)\C=C\C1C(O)CC(O)C1C\C=C/CCCC([O-])=O
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| InChI |
InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;
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| InChIKey |
IFEJLMHZNQJGQU-SZXUFNIVSA-M
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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