canSAR992677
FEATURES
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NAMES
    SMILES
    O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]4[C@@H](COP(=O)(O)O[C@@H]5[C@@H](COP(=O)(O)O[C@@H]6[C@@H](COP(=O)(O)O[C@@H]7[C@@H](COP(=O)(O)O[C@@H]8[C@@H](COP(=O)(O)O[C@@H]9[C@@H](COP(=O)(O)O[C@@H]%10[C@@H](COP(=O)(O)O[C@@H]%11[C@@H](COP(=O)(O)O[C@@H]%12[C@@H](COP(=O)(O)O[C@@H]%13[C@@H](CO)O[C@@H](n%14ccc(=O)[nH]c%14=O)[C@@H]%13OCOCCCl)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12OCOCCCl)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOCCCl)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOCCCl)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOCCCl)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOCCCl)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOCCCl)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOCCCl)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOCCCl)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOCCCl)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOCCCl)[C@@H](O)[C@H]2OCOCCCl)c(=O)[nH]1
    InChI
    InChI=1S/C144H193Cl12N24O106P11/c145-13-37-229-61-241-109-97(194)74(265-121(109)169-25-1-85(182)157-133(169)195)50-253-287(207,208)277-99-76(267-123(111(99)243-63-231-39-15-147)171-27-3-87(184)159-135(171)197)52-255-289(211,212)279-101-78(269-125(113(101)245-65-233-41-17-149)173-29-5-89(186)161-137(173)199)54-257-291(215,216)281-103-80(271-127(115(103)247-67-235-43-19-151)175-31-7-91(188)163-139(175)201)56-259-293(219,220)283-105-82(273-129(117(105)249-69-237-45-21-153)177-33-9-93(190)165-141(177)203)58-261-295(223,224)285-107-84(275-131(119(107)251-71-239-47-23-155)179-35-11-95(192)167-143(179)205)60-263-297(227,228)286-108-83(274-132(120(108)252-72-240-48-24-156)180-36-12-96(193)168-144(180)206)59-262-296(225,226)284-106-81(272-130(118(106)250-70-238-46-22-154)178-34-10-94(191)166-142(178)204)57-260-294(221,222)282-104-79(270-128(116(104)248-68-236-44-20-152)176-32-8-92(189)164-140(176)202)55-258-292(217,218)280-102-77(268-126(114(102)246-66-234-42-18-150)174-30-6-90(187)162-138(174)200)53-256-290(213,214)278-100-75(266-124(112(100)244-64-232-40-16-148)172-28-4-88(185)160-136(172)198)51-254-288(209,210)276-98-73(49-181)264-122(110(98)242-62-230-38-14-146)170-26-2-86(183)158-134(170)196/h1-12,25-36,73-84,97-132,181,194H,13-24,37-72H2,(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,157,182,195)(H,158,183,196)(H,159,184,197)(H,160,185,198)(H,161,186,199)(H,162,187,200)(H,163,188,201)(H,164,189,202)(H,165,190,203)(H,166,191,204)(H,167,192,205)(H,168,193,206)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-/m1/s1
    MOLECULAR FORMULA
    C144H193Cl12N24O106P11
    CROSS REFERENCES
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    canSAR992677
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4714.38
    AlogP-6.59
    HBond donors25
    HBond acceptors130
    Atoms490
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR992677.