General Information of the Compound
| Compound ID |
CP0504305
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| Compound Name |
N-[(2S)-1-[[(3S)-1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C31H39BrN4O3S
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| Molecular Weight |
627.649
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1
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| InChI |
InChI=1S/C31H39BrN4O3S/c1-20(2)15-26(35-31(38)29-17-22-5-3-4-6-28(22)40-29)30(37)34-23-11-14-36(19-23)18-21-7-8-27(25(32)16-21)39-24-9-12-33-13-10-24/h3-8,16-17,20,23-24,26,33H,9-15,18-19H2,1-2H3,(H,34,37)(H,35,38)/t23-,26-/m0/s1
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| InChIKey |
RJEFBVHGZPUKAJ-OZXSUGGESA-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