General Information of the Compound
| Compound ID |
CP0776147
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| Compound Name |
TTWEEWDKKIEEYTKKIEELIKKS
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| Structure |
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| Formula |
C140H220N32O44
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| Molecular Weight |
3055.48
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
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| InChI |
InChI=1S/C140H220N32O44/c1-12-72(6)112(168-127(202)90(39-23-29-61-145)151-117(192)86(35-19-25-57-141)153-131(206)102(67-110(190)191)165-130(205)100(65-79-68-148-84-33-17-15-31-82(79)84)164-126(201)95(48-54-107(184)185)154-121(196)92(45-51-104(178)179)157-129(204)101(66-80-69-149-85-34-18-16-32-83(80)85)166-139(214)116(77(11)176)172-134(209)111(147)75(9)174)136(211)161-97(50-56-109(188)189)123(198)156-94(47-53-106(182)183)125(200)163-99(64-78-41-43-81(177)44-42-78)133(208)171-115(76(10)175)138(213)159-89(38-22-28-60-144)119(194)152-91(40-24-30-62-146)128(203)169-113(73(7)13-2)137(212)160-96(49-55-108(186)187)122(197)155-93(46-52-105(180)181)124(199)162-98(63-71(4)5)132(207)170-114(74(8)14-3)135(210)158-88(37-21-27-59-143)118(193)150-87(36-20-26-58-142)120(195)167-103(70-173)140(215)216/h15-18,31-34,41-44,68-69,71-77,86-103,111-116,148-149,173-177H,12-14,19-30,35-40,45-67,70,141-147H2,1-11H3,(H,150,193)(H,151,192)(H,152,194)(H,153,206)(H,154,196)(H,155,197)(H,156,198)(H,157,204)(H,158,210)(H,159,213)(H,160,212)(H,161,211)(H,162,199)(H,163,200)(H,164,201)(H,165,205)(H,166,214)(H,167,195)(H,168,202)(H,169,203)(H,170,207)(H,171,208)(H,172,209)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,215,216)/t72-,73-,74-,75+,76+,77+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-,115-,116-/m0/s1
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| InChIKey |
CPASIIXANMRULR-NRVPKDIISA-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