General Information of the Compound
| Compound ID |
CP0879219
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| Compound Name |
SID92764022
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| Synonyms |
Aromatic and heteroaryl compound 1
PMID26882240-Compound-17
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| Structure |
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| Formula |
C27H34N2O2
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| Molecular Weight |
418.581
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| Canonical SMILES |
CCC1=C(CC2NCCc3ccccc32)CC2c3cc(OC)c(OC)cc3CCN2C1
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| InChI |
InChI=1S/C27H34N2O2/c1-4-18-17-29-12-10-20-15-26(30-2)27(31-3)16-23(20)25(29)14-21(18)13-24-22-8-6-5-7-19(22)9-11-28-24/h5-8,15-16,24-25,28H,4,9-14,17H2,1-3H3
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| InChIKey |
HDIJLRXRAJUXQB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Clinical Information about the Compound
Drug 1 ( Aromatic and heteroaryl compound 1 )
| Drug Name | Aromatic and heteroaryl compound 1 | ||
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| Company | Leland Stanford Junior University, USA | ||