General Information of the Compound
| Compound ID |
CP0953061
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| Compound Name |
(2S)-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]propanamide
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| Formula |
C22H22F3N3O
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| Molecular Weight |
401.432
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| Canonical SMILES |
C[C@H](NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(N)=O
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| InChI |
InChI=1S/C22H22F3N3O/c1-11(22(26)29)27-10-12-6-14(7-12)19-17-8-16(24)9-18(25)21(17)28-20(19)13-2-4-15(23)5-3-13/h2-5,8-9,11-12,14,27-28H,6-7,10H2,1H3,(H2,26,29)/t11-,12?,14?/m0/s1
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| InChIKey |
DQJUFHLOHGCOJQ-DCBWTQNWSA-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