General Information of the Compound
| Compound ID |
CP0748195
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| Compound Name |
SID24816342
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| Structure |
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| Formula |
C27H30ClN3O2S
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| Molecular Weight |
496.076
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| Canonical SMILES |
COc1cccc2sc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)nc12.Cl
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| InChI |
InChI=1S/C27H29N3O2S.ClH/c1-29(2)18-11-19-30(27-28-25-22(32-3)16-10-17-23(25)33-27)26(31)24(20-12-6-4-7-13-20)21-14-8-5-9-15-21;/h4-10,12-17,24H,11,18-19H2,1-3H3;1H
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| InChIKey |
HHQWPZJDRRELGB-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