General Information of the Compound
| Compound ID |
CP0724706
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| Compound Name |
SID17505099
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
O=C(N/N=C/c1cc2c3c(c1O)CCCN3CCC2)c1ccccc1O
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| InChI |
InChI=1S/C20H21N3O3/c24-17-8-2-1-6-15(17)20(26)22-21-12-14-11-13-5-3-9-23-10-4-7-16(18(13)23)19(14)25/h1-2,6,8,11-12,24-25H,3-5,7,9-10H2,(H,22,26)/b21-12+
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| InChIKey |
XRPDZGHUTLBFJI-CIAFOILYSA-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: PT06101, Latent membrane protein 1