General Information of the Compound
| Compound ID |
CP0856869
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| Compound Name |
SID87349674
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| Structure |
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| Formula |
C28H41ClN2O4
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| Molecular Weight |
505.099
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| Canonical SMILES |
CCOc1ccc(C(=O)C(CCC(CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1.Cl
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| InChI |
InChI=1S/C28H40N2O4.ClH/c1-7-33-25-15-11-21(12-16-25)27(31)23(19-29(3)4)9-10-24(20-30(5)6)28(32)22-13-17-26(18-14-22)34-8-2;/h11-18,23-24H,7-10,19-20H2,1-6H3;1H
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| InChIKey |
VCLQGBDYJSBCHS-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: PT06124, Paired box protein Pax-8