General Information of the Compound
| Compound ID |
CP0574669
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
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| Structure |
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| Formula |
C45H80N20O11
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| Molecular Weight |
1077.264
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C45H80N20O11/c1-24(2)18-30(39(72)64-32(22-66)41(74)63-31(19-25-20-54-23-58-25)40(73)59-27(8-3-4-14-46)37(70)57-21-35(49)68)62-38(71)28(9-5-15-55-44(50)51)60-42(75)33-11-7-17-65(33)43(76)29(10-6-16-56-45(52)53)61-36(69)26(47)12-13-34(48)67/h20,23-24,26-33,66H,3-19,21-22,46-47H2,1-2H3,(H2,48,67)(H2,49,68)(H,54,58)(H,57,70)(H,59,73)(H,60,75)(H,61,69)(H,62,71)(H,63,74)(H,64,72)(H4,50,51,55)(H4,52,53,56)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
OFKZKTZPJFDNCH-DKTXOJPGSA-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