General Information of the Compound
| Compound ID |
CP0372778
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| Compound Name |
2-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]acetamide
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| Structure |
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| Formula |
C33H46ClN5O3
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| Molecular Weight |
596.216
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
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| InChI |
InChI=1S/C33H46ClN5O3/c1-22(2)32(36-31(40)19-35)27-18-23(3)4-9-30(27)37-12-14-38(15-13-37)33(41)29-21-39(26-10-16-42-17-11-26)20-28(29)24-5-7-25(34)8-6-24/h4-9,18,22,26,28-29,32H,10-17,19-21,35H2,1-3H3,(H,36,40)/t28-,29+,32-/m0/s1
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| InChIKey |
YBORROWXCFESBC-LBRLCBGXSA-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