General Information of the Compound
| Compound ID |
CP0970517
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(1-methyltriazol-4-yl)methyl]carbamate
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| Formula |
C23H20F3N5O2
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| Molecular Weight |
455.44
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| Canonical SMILES |
Cn1cc(CNC(=O)O[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)nn1
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| InChI |
InChI=1S/C23H20F3N5O2/c1-31-11-16(29-30-31)10-27-23(32)33-17-6-13(7-17)20-18-8-15(25)9-19(26)22(18)28-21(20)12-2-4-14(24)5-3-12/h2-5,8-9,11,13,17,28H,6-7,10H2,1H3,(H,27,32)/t13-,17-
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| InChIKey |
NUMZSHMOGMYEIG-WJYNOGRTSA-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