General Information of the Compound
| Compound ID |
CP0228493
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| Compound Name |
methyl N-[4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[(3R)-1-[(1R,3S)-3-(methylamino)cyclopentanecarbonyl]piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C32H44ClN3O4
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| Molecular Weight |
570.174
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| Canonical SMILES |
CCc1cccc(c1)-c1c(Cl)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC
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| InChI |
InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/m1/s1
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| InChIKey |
FSZQGXXDUQSWMB-XWJZKXARSA-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