General Information of the Compound
| Compound ID |
CP0570865
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| Compound Name |
(4R,7S,10S,13S,16R)-16-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
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| Structure |
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| Formula |
C39H58N14O7S2
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| Molecular Weight |
899.118
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
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| InChI |
InChI=1S/C39H58N14O7S2/c1-22(48-33(56)25(40)14-8-16-46-38(42)43)32(55)53-30-21-62-61-20-29(31(41)54)52-36(59)28(19-24-12-6-3-7-13-24)51-35(58)27(18-23-10-4-2-5-11-23)50-34(57)26(49-37(30)60)15-9-17-47-39(44)45/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H2,41,54)(H,48,56)(H,49,60)(H,50,57)(H,51,58)(H,52,59)(H,53,55)(H4,42,43,46)(H4,44,45,47)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
YBCJXDSBBHYPIM-ODKJCKIQSA-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