General Information of the Compound
| Compound ID |
CP0485267
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| Compound Name |
1'-[[5-(aminomethyl)-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
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| Formula |
C23H25FN4O3S
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| Molecular Weight |
456.543
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc23)nc2cc(CN)ccc12
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| InChI |
InChI=1S/C23H25FN4O3S/c1-32(30,31)10-2-9-27-19-6-3-15(13-25)11-18(19)26-21(27)14-28-20-12-16(24)4-5-17(20)23(7-8-23)22(28)29/h3-6,11-12H,2,7-10,13-14,25H2,1H3
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| InChIKey |
DSPFOERQNFYYQX-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