General Information of the Compound
| Compound ID |
CP0400520
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| Compound Name |
[(1S,3R)-3-(2,3-dihydro-1H-inden-1-ylamino)-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C28H35F3N4O
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| Molecular Weight |
500.609
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C28H35F3N4O/c1-19(2)27(11-9-22(18-27)33-24-8-7-20-5-3-4-6-23(20)24)26(36)35-15-13-34(14-16-35)25-17-21(10-12-32-25)28(29,30)31/h3-6,10,12,17,19,22,24,33H,7-9,11,13-16,18H2,1-2H3/t22-,24?,27+/m1/s1
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| InChIKey |
WUHVASUBTOYMAX-BPMXUHRXSA-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