General Information of the Compound
| Compound ID |
CP0897739
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| Compound Name |
2-(4-(4-(tert-butoxycarbonyl(3-(4-(3-(tert-butoxycarbonyl(4-(cyclohexylamino)-4-oxobutyl)amino)propyl)phenyl)propyl)-amino)butanamido)piperidin-1-yl)ethyl 4-Amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C51H79ClN6O9
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| Molecular Weight |
955.679
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCN(CCCc2ccc(CCCN(CCCC(=O)NC3CCCCC3)C(=O)OC(C)(C)C)cc2)C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C51H79ClN6O9/c1-50(2,3)66-48(62)57(29-13-19-45(59)54-39-17-9-8-10-18-39)27-11-15-37-21-23-38(24-22-37)16-12-28-58(49(63)67-51(4,5)6)30-14-20-46(60)55-40-25-31-56(32-26-40)33-34-65-47(61)41-35-42(52)43(53)36-44(41)64-7/h21-24,35-36,39-40H,8-20,25-34,53H2,1-7H3,(H,54,59)(H,55,60)
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| InChIKey |
BSRMAEQAJPCJKX-UHFFFAOYSA-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