General Information of the Compound
| Compound ID |
CP0432106
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| Compound Name |
N-[2-[6-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]pyridin-3-yl]ethyl]-4-(cyclopropylmethoxy)benzamide
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| Structure |
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| Formula |
C28H30F2N4O2
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| Molecular Weight |
492.57
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| Canonical SMILES |
N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cn1
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| InChI |
InChI=1S/C28H30F2N4O2/c29-21-6-9-25(30)23(13-21)24-15-34(16-26(24)31)27-10-3-18(14-33-27)11-12-32-28(35)20-4-7-22(8-5-20)36-17-19-1-2-19/h3-10,13-14,19,24,26H,1-2,11-12,15-17,31H2,(H,32,35)/t24-,26+/m1/s1
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| InChIKey |
YAMBDJLWOBAEIP-RSXGOPAZSA-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