General Information of the Compound
| Compound ID |
CP0476456
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(3S,6S,12S)-12-[[(2S)-2,6-diaminohexanoyl]amino]-18-hydroxy-5,11-dioxo-4,10-diazatricyclo[15.3.1.06,10]henicosa-1(21),14,17,19-tetraene-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C38H59N7O8
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| Molecular Weight |
741.931
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(CC=CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C38H59N7O8/c1-5-23(4)32(36(50)43-29(38(52)53)19-22(2)3)44-34(48)28-21-24-15-16-31(46)25(20-24)11-6-7-13-27(41-33(47)26(40)12-8-9-17-39)37(51)45-18-10-14-30(45)35(49)42-28/h6-7,15-16,20,22-23,26-30,32,46H,5,8-14,17-19,21,39-40H2,1-4H3,(H,41,47)(H,42,49)(H,43,50)(H,44,48)(H,52,53)/t23-,26-,27-,28-,29-,30-,32-/m0/s1
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| InChIKey |
QYBOHMGQMFYVJK-APYWWOEASA-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