General Information of the Compound
| Compound ID |
CP0558081
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| Compound Name |
1'-[[5-(aminomethyl)-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
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| Formula |
C23H25FN4O2
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| Molecular Weight |
408.477
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| Canonical SMILES |
NCc1ccc2n(CCCCO)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C23H25FN4O2/c24-16-4-5-17-20(12-16)28(22(30)23(17)7-8-23)14-21-26-18-11-15(13-25)3-6-19(18)27(21)9-1-2-10-29/h3-6,11-12,29H,1-2,7-10,13-14,25H2
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| InChIKey |
VZKVSUCQBRRADM-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