General Information of the Compound
| Compound ID |
CP0471741
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| Compound Name |
(6S,9S,12S,15S,20aS)-9,15-bis((1H-indol-3-yl)methyl)-12-(4-aminobutyl)-6-(hydroxymethyl)tetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone
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| Structure |
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| Formula |
C38H47N9O7
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| Molecular Weight |
741.85
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| Canonical SMILES |
NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
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| InChI |
InChI=1S/C38H47N9O7/c39-14-6-5-12-28-34(50)46-30(17-23-19-41-27-11-4-2-9-25(23)27)38(54)47-15-7-13-32(47)37(53)42-20-33(49)43-31(21-48)36(52)45-29(35(51)44-28)16-22-18-40-26-10-3-1-8-24(22)26/h1-4,8-11,18-19,28-32,40-41,48H,5-7,12-17,20-21,39H2,(H,42,53)(H,43,49)(H,44,51)(H,45,52)(H,46,50)/t28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
CEKWORVPAYGYCK-XDIGFQIYSA-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