canSAR824443
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC
    InChI
    InChI=1S/C160H251N51O24/c1-15-97(13)132(155(234)196-113(54-34-37-61-163)141(220)206-127(77-104-83-175-88-186-104)151(230)204-124(74-101-47-27-22-28-48-101)154(233)211-133(98(14)16-2)156(235)209-130(80-107-86-178-91-189-107)149(228)195-115(56-41-65-182-159(170)171)139(218)197-117(134(165)213)72-99-43-23-20-24-44-99)210-153(232)123(73-100-45-25-21-26-46-100)190-131(212)58-29-18-17-19-38-62-179-136(215)126(76-103-82-174-87-185-103)205-146(225)122(71-96(11)12)202-145(224)121(70-95(9)10)203-150(229)128(78-105-84-176-89-187-105)208-152(231)129(79-106-85-177-90-188-106)207-147(226)120(69-94(7)8)199-140(219)112(53-33-36-60-162)191-137(216)111(52-32-35-59-161)193-143(222)118(67-92(3)4)201-144(223)119(68-93(5)6)200-142(221)116(57-42-66-183-160(172)173)192-138(217)114(55-40-64-181-158(168)169)194-148(227)125(75-102-81-184-110-51-31-30-49-108(102)110)198-135(214)109(164)50-39-63-180-157(166)167/h20-28,30-31,43-49,51,81-98,109,111-130,132-133,184H,15-19,29,32-42,50,52-80,161-164H2,1-14H3,(H2,165,213)(H,174,185)(H,175,186)(H,176,187)(H,177,188)(H,178,189)(H,179,215)(H,190,212)(H,191,216)(H,192,217)(H,193,222)(H,194,227)(H,195,228)(H,196,234)(H,197,218)(H,198,214)(H,199,219)(H,200,221)(H,201,223)(H,202,224)(H,203,229)(H,204,230)(H,205,225)(H,206,220)(H,207,226)(H,208,231)(H,209,235)(H,210,232)(H,211,233)(H4,166,167,180)(H4,168,169,181)(H4,170,171,182)(H4,172,173,183)/t97-,98-,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,132-,133-/m0/s1
    MOLECULAR FORMULA
    C160H251N51O24
    CROSS REFERENCES
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    canSAR824443
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3271.00
    AlogP-1.03
    HBond donors55
    HBond acceptors75
    Atoms486
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824443.