General Information of the Compound
| Compound ID |
CP0528347
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| Compound Name |
(R)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthalen-2-yl)-1H-benzo[g]indol-3-yl)acetamido)hexanoate
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| Structure |
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| Formula |
C33H36N4O3
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| Molecular Weight |
536.676
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| Canonical SMILES |
C[C@H](N)COC(=O)[C@@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29+/m0/s1
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| InChIKey |
NFVRGDRCCNEGBS-KCWXNJEJSA-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