General Information of the Compound
| Compound ID |
CP0100141
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| Compound Name |
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(3-methoxypropyl)piperazin-1-yl]methyl]-N-ethyl-N-methylbenzamide
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| Structure |
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| Formula |
C29H40N4O3
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| Molecular Weight |
492.664
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCCOC)CC1)c1cccc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C29H40N4O3/c1-4-31(2)29(35)24-13-9-22(10-14-24)27(33-18-16-32(17-19-33)15-6-20-36-3)25-7-5-8-26(21-25)30-28(34)23-11-12-23/h5,7-10,13-14,21,23,27H,4,6,11-12,15-20H2,1-3H3,(H,30,34)/t27-/m1/s1
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| InChIKey |
RKKSQATZLHJSAR-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