General Information of the Compound
| Compound ID |
CP0845421
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| Compound Name |
SID51090368
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| Structure |
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| Formula |
C28H39ClN4O3S2
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| Molecular Weight |
579.232
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| Canonical SMILES |
Cc1ccc2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1C.Cl
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| InChI |
InChI=1S/C28H38N4O3S2.ClH/c1-20-12-17-25-26(21(20)2)29-28(36-25)32(19-9-18-30(3)4)27(33)22-13-15-24(16-14-22)37(34,35)31(5)23-10-7-6-8-11-23;/h12-17,23H,6-11,18-19H2,1-5H3;1H
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| InChIKey |
VWMFJHZTXUWRNN-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: PT06033, Microphthalmia-associated transcription factor