General Information of the Compound
| Compound ID |
CP0440365
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| Compound Name |
N-[1-[[(2R)-1-[3-(4-methylpiperazin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H43N5O3S
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| Molecular Weight |
589.806
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| Canonical SMILES |
CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C33H43N5O3S/c1-37-19-21-38(22-20-37)18-10-17-34-30(39)27(23-25-11-4-2-5-12-25)35-32(41)33(15-8-3-9-16-33)36-31(40)29-24-26-13-6-7-14-28(26)42-29/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,39)(H,35,41)(H,36,40)/t27-/m1/s1
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| InChIKey |
YOLJRQHQYDNGJH-HHHXNRCGSA-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