General Information of the Compound
| Compound ID |
CP0423722
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| Compound Name |
Ac-VTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2
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| Synonyms |
Ac-VTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2
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| Structure |
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| Formula |
C148H236N44O38
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| Molecular Weight |
3239.786
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C148H236N44O38/c1-73(2)56-95(170-109(200)68-163-121(206)81(17)167-128(213)96(57-74(3)4)176-126(211)91(45-33-51-159-146(152)153)172-132(217)100(62-89-65-158-72-166-89)181-144(229)119(84(20)196)190-141(226)114(77(9)10)169-85(21)197)130(215)177-97(58-75(5)6)131(216)184-104(71-194)136(221)173-92(46-34-52-160-147(154)155)127(212)183-103(70-193)123(208)164-66-108(199)162-67-110(201)185-115(78(11)12)142(227)187-116(79(13)14)140(225)174-93(47-35-53-161-148(156)157)124(209)171-90(44-31-32-50-149)125(210)179-101(63-107(150)198)133(218)178-99(61-88-42-29-24-30-43-88)134(219)188-117(80(15)16)145(230)192-55-37-49-106(192)138(223)189-118(83(19)195)143(228)182-102(64-112(203)204)135(220)186-113(76(7)8)139(224)165-69-111(202)191-54-36-48-105(191)137(222)180-98(60-87-40-27-23-28-41-87)129(214)168-82(18)122(207)175-94(120(151)205)59-86-38-25-22-26-39-86/h22-30,38-43,65,72-84,90-106,113-119,193-196H,31-37,44-64,66-71,149H2,1-21H3,(H2,150,198)(H2,151,205)(H,158,166)(H,162,199)(H,163,206)(H,164,208)(H,165,224)(H,167,213)(H,168,214)(H,169,197)(H,170,200)(H,171,209)(H,172,217)(H,173,221)(H,174,225)(H,175,207)(H,176,211)(H,177,215)(H,178,218)(H,179,210)(H,180,222)(H,181,229)(H,182,228)(H,183,212)(H,184,216)(H,185,201)(H,186,220)(H,187,227)(H,188,219)(H,189,223)(H,190,226)(H,203,204)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t81-,82-,83+,84+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-,118-,119-/m0/s1
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| InChIKey |
KPPNHHWOHREFKE-POKONUJPSA-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
Clinical Information about the Compound