General Information of the Compound
| Compound ID |
CP0881167
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| Compound Name |
SID49647702
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| Structure |
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| Formula |
C32H31BrN4O2
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| Molecular Weight |
583.53
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| Canonical SMILES |
O=C1[C@@H]2Cc3c([nH]c4ccccc34)C(c3cccc(Br)c3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C32H31BrN4O2/c33-23-10-6-9-22(17-23)31-30-26(25-11-4-5-12-27(25)34-30)18-28-32(39)36(20-29(38)37(28)31)24-13-15-35(16-14-24)19-21-7-2-1-3-8-21/h1-12,17,24,28,31,34H,13-16,18-20H2/t28-,31?/m0/s1
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| InChIKey |
FYTBEHAACLDCSC-NPHAVVRNSA-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: PT06124, Paired box protein Pax-8