General Information of the Compound
| Compound ID |
CP0444308
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| Compound Name |
2-[6-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]pyridin-3-yl]-6-butoxy-3,4-dihydroisoquinolin-1-one
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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 |
CCCCOc1ccc2C(=O)N(CCc2c1)c1ccc(nc1)N1C[C@H](N)[C@H](C1)c1cc(F)ccc1F
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| InChI |
InChI=1S/C28H30F2N4O2/c1-2-3-12-36-21-6-7-22-18(13-21)10-11-34(28(22)35)20-5-9-27(32-15-20)33-16-24(26(31)17-33)23-14-19(29)4-8-25(23)30/h4-9,13-15,24,26H,2-3,10-12,16-17,31H2,1H3/t24-,26+/m1/s1
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| InChIKey |
ZMWYWQVZULSCIY-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