General Information of the Compound
| Compound ID |
CP0565270
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| Compound Name |
(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanamide
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| Structure |
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| Formula |
C76H145N13O31
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| Molecular Weight |
1737.056
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| Canonical SMILES |
CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O
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| InChI |
InChI=1S/C76H145N13O31/c1-57(2)51-61(77)73(99)83-53-68(94)85-59(5)71(97)88-64(55-90)75(101)81-13-17-105-21-25-109-29-33-113-37-41-117-45-49-119-47-43-115-39-35-111-31-27-107-23-19-103-15-10-66(92)80-12-8-7-9-63(70(79)96)87-67(93)11-16-104-20-24-108-28-32-112-36-40-116-44-48-120-50-46-118-42-38-114-34-30-110-26-22-106-18-14-82-76(102)65(56-91)89-72(98)60(6)86-69(95)54-84-74(100)62(78)52-58(3)4/h57-65,90-91H,7-56,77-78H2,1-6H3,(H2,79,96)(H,80,92)(H,81,101)(H,82,102)(H,83,99)(H,84,100)(H,85,94)(H,86,95)(H,87,93)(H,88,97)(H,89,98)/t59-,60-,61-,62-,63+,64-,65-/m1/s1
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| InChIKey |
SUZNSOFOXOOFDQ-MHDZGGFOSA-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