General Information of the Compound
| Compound ID |
CP0970128
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[4-(3-hydroxy-3-methyl-cyclobutanecarbonyl)-3,3-dimethyl-piperazin-1-yl]methanone
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| Formula |
C31H34F3N3O3
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| Molecular Weight |
553.625
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| Canonical SMILES |
CC1(O)CC(C(=O)N2CCN(C(=O)[C@H]3C[C@H](c4c(-c5ccc(F)cc5)[nH]c5c(F)cc(F)cc54)C3)CC2(C)C)C1
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| InChI |
InChI=1S/C31H34F3N3O3/c1-30(2)16-36(8-9-37(30)29(39)20-14-31(3,40)15-20)28(38)19-10-18(11-19)25-23-12-22(33)13-24(34)27(23)35-26(25)17-4-6-21(32)7-5-17/h4-7,12-13,18-20,35,40H,8-11,14-16H2,1-3H3/t18-,19-,20?,31?
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| InChIKey |
BVPPPWOLAFEETA-FJQNINCESA-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