General Information of the Compound
| Compound ID |
CP0470347
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| Compound Name |
2-[4-[2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C29H29F2NO4
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| Molecular Weight |
493.55
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| Canonical SMILES |
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C(F)F)cc1)c1cccc(O)c1
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| InChI |
InChI=1S/C29H29F2NO4/c1-18-25-16-23(34)7-10-26(25)36-28(27(18)20-3-2-4-22(33)15-20)19-5-8-24(9-6-19)35-14-13-32-12-11-21(17-32)29(30)31/h2-10,15-16,21,28-29,33-34H,11-14,17H2,1H3/t21-,28?/m1/s1
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| InChIKey |
KXUDGYHOJKXVHW-IHKRANBOSA-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