General Information of the Compound
| Compound ID |
CP0573548
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| Compound Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-phenylbutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
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| Structure |
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| Formula |
C67H104N22O15
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| Molecular Weight |
1457.708
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| Canonical SMILES |
C[C@H](NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C67H104N22O15/c1-39(81-54(93)37-80-60(99)50(28-25-41-15-5-3-6-16-41)88-64(103)51(34-42-17-7-4-8-18-42)83-55(94)36-78-53(92)35-79-59(98)45(70)33-43-23-26-44(91)27-24-43)57(96)85-49(22-14-32-77-67(74)75)62(101)87-47(20-10-12-30-69)63(102)89-52(38-90)65(104)82-40(2)58(97)86-48(21-13-31-76-66(72)73)61(100)84-46(56(71)95)19-9-11-29-68/h3-8,15-18,23-24,26-27,39-40,45-52,90-91H,9-14,19-22,25,28-38,68-70H2,1-2H3,(H2,71,95)(H,78,92)(H,79,98)(H,80,99)(H,81,93)(H,82,104)(H,83,94)(H,84,100)(H,85,96)(H,86,97)(H,87,101)(H,88,103)(H,89,102)(H4,72,73,76)(H4,74,75,77)/t39-,40-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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| InChIKey |
AHQXXKNHJLFYBO-YOKMJXCNSA-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