General Information of the Compound
| Compound ID |
CP0847199
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| Compound Name |
CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGTP-amide
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| Synonyms |
CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGTP-amide
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| Structure |
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| Formula |
C144H241N43O48S2
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| Molecular Weight |
3406.899
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@@H]2C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O
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| InChI |
InChI=1S/C144H241N43O48S2/c1-65(2)47-85(174-139(231)110(70(11)12)182-136(228)98(64-237)180-141(233)113(73(15)194)185-135(227)97(62-191)179-129(221)89(51-69(9)10)171-130(222)90(53-103(150)199)172-134(226)95(60-189)177-116(208)77(147)63-236)117(209)157-56-106(202)160-78(25-17-19-41-145)119(211)168-88(50-68(7)8)128(220)178-96(61-190)133(225)166-83(36-39-102(149)198)123(215)164-84(37-40-109(205)206)124(216)170-87(49-67(5)6)127(219)173-92-55-105(201)155-43-21-27-80(162-122(214)82(35-38-101(148)197)165-126(218)86(48-66(3)4)169-120(212)79(163-131(92)223)26-18-20-42-146)121(213)176-93(52-75-31-33-76(196)34-32-75)142(234)187-46-24-30-100(187)137(229)167-81(28-22-44-156-144(153)154)125(217)184-112(72(14)193)140(232)175-91(54-104(151)200)132(224)183-111(71(13)192)138(230)159-57-107(203)161-94(59-188)118(210)158-58-108(204)181-114(74(16)195)143(235)186-45-23-29-99(186)115(152)207/h31-34,65-74,77-100,110-114,188-196,236-237H,17-30,35-64,145-147H2,1-16H3,(H2,148,197)(H2,149,198)(H2,150,199)(H2,151,200)(H2,152,207)(H,155,201)(H,157,209)(H,158,210)(H,159,230)(H,160,202)(H,161,203)(H,162,214)(H,163,223)(H,164,215)(H,165,218)(H,166,225)(H,167,229)(H,168,211)(H,169,212)(H,170,216)(H,171,222)(H,172,226)(H,173,219)(H,174,231)(H,175,232)(H,176,213)(H,177,208)(H,178,220)(H,179,221)(H,180,233)(H,181,204)(H,182,228)(H,183,224)(H,184,217)(H,185,227)(H,205,206)(H4,153,154,156)/t71-,72-,73-,74-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,110+,111+,112+,113+,114+/m1/s1
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| InChIKey |
PPKRHPCXCVMULC-IFCDPWAYSA-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