General Information of the Compound
| Compound ID |
CP0488749
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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)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]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 |
C63H105N23O15
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| Molecular Weight |
1424.679
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| Canonical SMILES |
C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)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/C63H105N23O15/c1-36(78-50(90)34-77-56(96)43(17-7-10-26-65)84-60(100)47(31-38-14-4-3-5-15-38)80-51(91)33-75-49(89)32-76-55(95)41(67)30-39-21-23-40(88)24-22-39)53(93)82-46(20-13-29-74-63(71)72)58(98)85-44(18-8-11-27-66)59(99)86-48(35-87)61(101)79-37(2)54(94)83-45(19-12-28-73-62(69)70)57(97)81-42(52(68)92)16-6-9-25-64/h3-5,14-15,21-24,36-37,41-48,87-88H,6-13,16-20,25-35,64-67H2,1-2H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,96)(H,78,90)(H,79,101)(H,80,91)(H,81,97)(H,82,93)(H,83,94)(H,84,100)(H,85,98)(H,86,99)(H4,69,70,73)(H4,71,72,74)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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| InChIKey |
OMJJCZLAIIHKOH-UFEZOMAVSA-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