General Information of the Compound
| Compound ID |
CP0007084
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| Compound Name |
Ac-WVTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2
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| Synonyms |
Ac-WVTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2
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| Structure |
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| Formula |
C159H246N46O39
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| Molecular Weight |
3426
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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(=O)[C@H](Cc1c[nH]c2ccccc12)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/C159H246N46O39/c1-79(2)60-104(182-119(213)74-175-131(219)87(17)179-138(226)105(61-80(3)4)188-136(224)100(49-35-55-170-157(163)164)184-142(230)110(67-96-71-169-78-178-96)193-155(243)129(90(20)209)203-153(241)126(85(13)14)199-145(233)109(181-91(21)210)66-95-70-173-98-47-32-31-46-97(95)98)140(228)189-106(62-81(5)6)141(229)196-114(77-207)147(235)185-101(50-36-56-171-158(165)166)137(225)195-113(76-206)133(221)176-72-118(212)174-73-120(214)197-124(83(9)10)152(240)200-125(84(11)12)151(239)186-102(51-37-57-172-159(167)168)134(222)183-99(48-33-34-54-160)135(223)191-111(68-117(161)211)143(231)190-108(65-94-44-29-24-30-45-94)144(232)201-127(86(15)16)156(244)205-59-39-53-116(205)149(237)202-128(89(19)208)154(242)194-112(69-122(216)217)146(234)198-123(82(7)8)150(238)177-75-121(215)204-58-38-52-115(204)148(236)192-107(64-93-42-27-23-28-43-93)139(227)180-88(18)132(220)187-103(130(162)218)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,173,206-209H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,211)(H2,162,218)(H,169,178)(H,174,212)(H,175,219)(H,176,221)(H,177,238)(H,179,226)(H,180,227)(H,181,210)(H,182,213)(H,183,222)(H,184,230)(H,185,235)(H,186,239)(H,187,220)(H,188,224)(H,189,228)(H,190,231)(H,191,223)(H,192,236)(H,193,243)(H,194,242)(H,195,225)(H,196,229)(H,197,214)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,216,217)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
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| InChIKey |
LVJLXLXVWDOXCC-BQWGFPJXSA-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