General Information of the Compound
| Compound ID |
CP0372893
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| Compound Name |
N-[[(3S,13S,16S,19S,22S,25R)-16-(4-aminobutyl)-13-(aminomethyl)-2,12,15,18,21,24-hexaoxo-19-phenyl-1,11,14,17,20,23-hexazapentacyclo[23.8.0.03,11.05,10.027,32]tritriaconta-27,29,31-trien-22-yl]methyl]-2-phenylacetamide
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| Structure |
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| Formula |
C47H59N9O7
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| Molecular Weight |
862.045
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| Canonical SMILES |
NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC3CCCCC3N2C(=O)[C@H](CN)NC1=O)c1ccccc1
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| InChI |
InChI=1S/C47H59N9O7/c48-22-12-11-20-34-42(58)52-35(26-49)46(62)56-37-21-10-9-18-32(37)25-39(56)47(63)55-28-33-19-8-7-17-31(33)24-38(55)44(60)53-36(27-50-40(57)23-29-13-3-1-4-14-29)43(59)54-41(45(61)51-34)30-15-5-2-6-16-30/h1-8,13-17,19,32,34-39,41H,9-12,18,20-28,48-49H2,(H,50,57)(H,51,61)(H,52,58)(H,53,60)(H,54,59)/t32?,34-,35-,36-,37?,38+,39-,41-/m0/s1
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| InChIKey |
QKWKVWPWZYAHGR-NGGJMDNRSA-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