General Information of the Compound
| Compound ID |
CP0426334
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| Compound Name |
methyl N-[1-[[(1R,2S)-2-[benzyl(methyl)carbamoyl]-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]carbamate
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| Structure |
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| Formula |
C32H35Cl2N3O3
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| Molecular Weight |
580.556
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| Canonical SMILES |
COC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H35Cl2N3O3/c1-36(21-23-9-5-3-6-10-23)29(38)32(25-13-14-27(33)28(34)19-25)20-26(32)22-37-17-15-31(16-18-37,35-30(39)40-2)24-11-7-4-8-12-24/h3-14,19,26H,15-18,20-22H2,1-2H3,(H,35,39)/t26-,32+/m0/s1
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| InChIKey |
VBDXBRZZLAHBSX-XYFQYJLHSA-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