General Information of the Compound
| Compound ID |
CP0430928
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| Compound Name |
4-(6-chloranyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]butanamide
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| Structure |
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| Formula |
C28H36ClN3O3
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| Molecular Weight |
498.067
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| Canonical SMILES |
CC1CN(C(=O)CCC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1
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| InChI |
InChI=1S/C28H36ClN3O3/c1-21-20-32(25-19-24(29)8-9-26(25)35-21)28(34)11-10-27(33)30-14-5-15-31-16-12-23(13-17-31)18-22-6-3-2-4-7-22/h2-4,6-9,19,21,23H,5,10-18,20H2,1H3,(H,30,33)
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| InChIKey |
QRFXWUZQZNSJDZ-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: PT06033, Microphthalmia-associated transcription factor