General Information of the Compound
| Compound ID |
CP0646814
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| Compound Name |
SID87349380
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| Structure |
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| Formula |
C28H37ClN2O3
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| Molecular Weight |
485.068
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| Canonical SMILES |
Cc1ccccc1OCc1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C.[Cl-]
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| InChI |
InChI=1S/C28H37N2O3.ClH/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4;/h6-13,19-20,22,26H,14-18H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
QHXMRHJAZZIQTP-UHFFFAOYSA-M
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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