General Information of the Compound
| Compound ID |
CP0454311
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| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C31H44ClN5O2
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| Molecular Weight |
554.179
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H44ClN5O2/c1-21(2)30(34-29(38)12-13-35(4)5)25-18-22(3)6-11-28(25)36-14-16-37(17-15-36)31(39)27-20-33-19-26(27)23-7-9-24(32)10-8-23/h6-11,18,21,26-27,30,33H,12-17,19-20H2,1-5H3,(H,34,38)/t26-,27+,30-/m0/s1
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| InChIKey |
DUEOGLDPZSDHOJ-DURBRWELSA-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