General Information of the Compound
| Compound ID |
CP0571255
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| Compound Name |
4-(cyclobutanecarbonyl)-N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C33H44N6O4
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| Molecular Weight |
588.753
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| Canonical SMILES |
CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H44N6O4/c1-5-43-29-14-13-23(21-37(3)4)19-28(29)35-31(40)30(22(2)26-20-34-27-12-7-6-11-25(26)27)36-33(42)39-17-15-38(16-18-39)32(41)24-9-8-10-24/h6-7,11-14,19-20,22,24,30,34H,5,8-10,15-18,21H2,1-4H3,(H,35,40)(H,36,42)/t22-,30+/m0/s1
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| InChIKey |
CAYMUWHYUIUHHM-SMSORMJASA-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