General Information of the Compound
| Compound ID |
CP0762972
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| Compound Name |
SID24801308
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| Structure |
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| Formula |
C20H17Br2N3OS
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| Molecular Weight |
507.251
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| Canonical SMILES |
Br.N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C20H16BrN3OS.BrH/c21-19-11-10-18(26-19)17(25)13-24-16-9-5-4-8-15(16)23(20(24)22)12-14-6-2-1-3-7-14;/h1-11,22H,12-13H2;1H
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| InChIKey |
VXMNVIRMSNTHQN-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