General Information of the Compound
| Compound ID |
CP0527424
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| Compound Name |
(2S,11S)-11-amino-N-[(2R)-1-[[(2R)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxamide
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| Structure |
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| Formula |
C57H70N12O7
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| Molecular Weight |
1035.264
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](N)C(=O)N1c23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C57H70N12O7/c1-33-40(39-19-6-8-21-43(39)63-33)31-48(68-56(75)49-30-36-17-13-16-35-24-25-41(60)57(76)69(49)50(35)36)55(74)65-45(23-10-12-27-59)52(71)67-47(29-37-32-62-42-20-7-5-18-38(37)42)54(73)66-46(28-34-14-3-2-4-15-34)53(72)64-44(51(61)70)22-9-11-26-58/h2-8,13-21,32,41,44-49,62-63H,9-12,22-31,58-60H2,1H3,(H2,61,70)(H,64,72)(H,65,74)(H,66,73)(H,67,71)(H,68,75)/t41-,44-,45+,46+,47-,48+,49-/m0/s1
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| InChIKey |
BXISKCFZKFDZBJ-RWKPYQOYSA-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