General Information of the Compound
| Compound ID |
CP0440988
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| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C34H50ClN5O2
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| Molecular Weight |
596.26
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
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| InChI |
InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30+,33-/m0/s1
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| InChIKey |
ZNDISASWORBMME-VATRQPNGSA-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