General Information of the Compound
| Compound ID |
CP0886489
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| Compound Name |
SID49648627
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| Structure |
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| Formula |
C20H31NO5
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| Molecular Weight |
365.47
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| Canonical SMILES |
CC(C)Oc1ccc(C(CCN)C2CCCCC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C18H29NO.C2H2O4/c1-14(2)20-17-10-8-16(9-11-17)18(12-13-19)15-6-4-3-5-7-15;3-1(4)2(5)6/h8-11,14-15,18H,3-7,12-13,19H2,1-2H3;(H,3,4)(H,5,6)
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| InChIKey |
WUWIKNADHIFLGU-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor