General Information of the Compound
| Compound ID |
CP0888909
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| Compound Name |
SID49730904
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| Structure |
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| Formula |
C24H27N3O2S
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| Molecular Weight |
421.566
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| Canonical SMILES |
CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2
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| InChI |
InChI=1S/C24H27N3O2S/c1-3-27-12-4-5-19(27)15-25-23(28)18-10-11-21-20(14-18)26-24(29)22(30-21)13-17-8-6-16(2)7-9-17/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-13+
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| InChIKey |
GAXDNYTWZRXOEK-LPYMAVHISA-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