General Information of the Compound
| Compound ID |
CP0969408
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| Compound Name |
4-[3-(4-{[2-(3-{[(2-{[(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)acetyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzamido)-1H-indole-3-carbonyl]amino}phenyl)propyl]benzoic acid
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| Structure |
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| Formula |
C47H53N9O7
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| Molecular Weight |
855.997
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CN1C(=O)NC2NC(=O)NC21)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1
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| InChI |
InChI=1S/C47H53N9O7/c1-4-35(5-2)55(25-24-54(3)38(57)28-56-42-41(52-47(56)63)51-46(62)53-42)27-31-12-9-13-33(26-31)43(58)50-40-39(36-14-6-7-15-37(36)49-40)44(59)48-34-22-18-30(19-23-34)11-8-10-29-16-20-32(21-17-29)45(60)61/h6-7,9,12-23,26,35,41-42,49H,4-5,8,10-11,24-25,27-28H2,1-3H3,(H,48,59)(H,50,58)(H,52,63)(H,60,61)(H2,51,53,62)
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| InChIKey |
VKFDKTLQAONPMK-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