General Information of the Compound
| Compound ID |
CP0404969
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| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-4-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C33H46ClF2N5O2
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| Molecular Weight |
618.213
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C
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| InChI |
InChI=1S/C33H46ClF2N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-28(35)27(34)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
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| InChIKey |
KMWZPGLREBIDRH-HEHLMWRFSA-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