General Information of the Compound
| Compound ID |
CP0504051
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| Compound Name |
N-[1-[[(2S)-1-[3-(dimethylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C30H38N4O3S
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| Molecular Weight |
534.726
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| Canonical SMILES |
CN(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C30H38N4O3S/c1-34(2)19-11-18-31-27(35)24(20-22-12-5-3-6-13-22)32-29(37)30(16-9-4-10-17-30)33-28(36)26-21-23-14-7-8-15-25(23)38-26/h3,5-8,12-15,21,24H,4,9-11,16-20H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/t24-/m0/s1
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| InChIKey |
BWFSXPLHGJNWKK-DEOSSOPVSA-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