General Information of the Compound
| Compound ID |
CP0290735
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| Compound Name |
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]-N-ethyl-N-methylbenzamide
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| Structure |
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| Formula |
C30H37N5O2S
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| Molecular Weight |
531.726
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2nc(C)cs2)CC1)c1cccc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C30H37N5O2S/c1-4-33(3)30(37)24-12-8-22(9-13-24)28(25-6-5-7-26(18-25)32-29(36)23-10-11-23)35-16-14-34(15-17-35)19-27-31-21(2)20-38-27/h5-9,12-13,18,20,23,28H,4,10-11,14-17,19H2,1-3H3,(H,32,36)/t28-/m1/s1
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| InChIKey |
BZOKDMVHPRZDSW-MUUNZHRXSA-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