General Information of the Compound
| Compound ID |
CP0093822
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| Compound Name |
CAS_5522
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| Synonyms |
ICI-136,753
ICI-136753
tracazolate
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| Structure |
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| Formula |
C16H24N4O2
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| Molecular Weight |
304.394
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| Canonical SMILES |
CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12
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| InChI |
InChI=1S/C16H24N4O2/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3/h10H,5-9H2,1-4H3,(H,17,19)
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| InChIKey |
PCTRYMLLRKWXGF-UHFFFAOYSA-N
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| CAS |
41094-88-6
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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
Clinical Information about the Compound
Drug 1 ( tracazolate )
| Drug Name | tracazolate | ||
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