General Information of the Compound
| Compound ID |
CP0477604
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| Compound Name |
1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethyl)benzyl)urea
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| Structure |
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| Formula |
C34H42F4N4O3
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| Molecular Weight |
630.727
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| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H42F4N4O3/c1-2-17-42(32(44)39-20-24-7-9-27(10-8-24)34(36,37)38)30-15-18-40(19-16-30)21-28-22-41(31(43)25-5-3-4-6-25)23-33(28,45)26-11-13-29(35)14-12-26/h2,7-14,25,28,30,45H,1,3-6,15-23H2,(H,39,44)/t28-,33-/m0/s1
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| InChIKey |
HPFFSZAQYZXAAC-UVMMSNCQSA-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