General Information of the Compound
| Compound ID |
CP0957908
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| Compound Name |
3-(5,6-difluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxo-pyrrolidin-3-yl]propanamide
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| Structure |
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| Formula |
C21H19F2N3O3
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| Molecular Weight |
399.397
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| Canonical SMILES |
O=C(CCc1c(-c2ccccc2)[nH]c2cc(F)c(F)cc12)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C21H19F2N3O3/c22-14-8-13-12(6-7-18(28)26-20-17(27)10-24-21(20)29)19(11-4-2-1-3-5-11)25-16(13)9-15(14)23/h1-5,8-9,17,20,25,27H,6-7,10H2,(H,24,29)(H,26,28)/t17-,20+/m1/s1
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| InChIKey |
OLCNCVPOHSMJCH-XLIONFOSSA-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