General Information of the Compound
| Compound ID |
CP0382253
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| Compound Name |
3-amino-N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]propanamide
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| Structure |
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| Formula |
C34H48ClN5O3
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| Molecular Weight |
610.243
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
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| InChI |
InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)10-13-36)28-20-24(3)4-9-31(28)38-14-16-39(17-15-38)34(42)30-22-40(27-11-18-43-19-12-27)21-29(30)25-5-7-26(35)8-6-25/h4-9,20,23,27,29-30,33H,10-19,21-22,36H2,1-3H3,(H,37,41)/t29-,30+,33-/m0/s1
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| InChIKey |
JCRLKKFCFDVDDV-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