General Information of the Compound
| Compound ID |
CP0438281
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| Compound Name |
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(1-ethyl-4-methoxybenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide
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| Structure |
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| Formula |
C25H29FN6O3
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| Molecular Weight |
480.544
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| Canonical SMILES |
CCn1c(nc2c(OC)cccc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12
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| InChI |
InChI=1S/C25H29FN6O3/c1-3-32-18-10-5-11-19(35-2)22(18)31-23(32)17(9-6-12-28-20(27)13-26)30-24(33)16-8-4-7-15-14-29-25(34)21(15)16/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3,(H2,27,28)(H,29,34)(H,30,33)/t17-/m0/s1
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| InChIKey |
DTZWXEWKAKLMMK-KRWDZBQOSA-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