General Information of the Compound
| Compound ID |
CP0440364
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| Compound Name |
N-[1-[[(2R)-1-[3-(4-methylpiperazin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C32H41N5O3S
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| Molecular Weight |
575.779
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| Canonical SMILES |
CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C32H41N5O3S/c1-36-18-20-37(21-19-36)17-9-16-33-29(38)26(22-24-10-3-2-4-11-24)34-31(40)32(14-7-8-15-32)35-30(39)28-23-25-12-5-6-13-27(25)41-28/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1
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| InChIKey |
VAIWDACCTULQEF-AREMUKBSSA-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