General Information of the Compound
| Compound ID |
CP0775108
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| Compound Name |
SID50126044
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1ccccc1
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| InChI |
InChI=1S/C27H27N3O2/c1-20-24(26(31)32-2)25(23-16-10-5-11-17-23)29-27(28-18-21-12-6-3-7-13-21)30(20)19-22-14-8-4-9-15-22/h3-17,25H,18-19H2,1-2H3,(H,28,29)/t25-/m0/s1
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| InChIKey |
WELLNFPFJGPCRA-VWLOTQADSA-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