General Information of the Compound
| Compound ID |
CP0844948
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| Compound Name |
SFRNGVGTGMKKASFQRAKS
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| Structure |
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| Formula |
C92H153N31O27S
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| Molecular Weight |
2157.493
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| Canonical SMILES |
CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
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| InChI |
InChI=1S/C92H153N31O27S/c1-48(2)72(122-70(131)43-105-77(136)64(41-68(98)129)119-81(140)59(29-20-37-104-92(101)102)115-85(144)62(117-76(135)54(96)45-124)39-52-21-9-7-10-22-52)88(147)106-44-71(132)123-73(51(5)127)89(148)107-42-69(130)110-61(32-38-151-6)84(143)113-57(27-15-18-35-95)80(139)112-55(25-13-16-33-93)78(137)109-50(4)75(134)120-65(46-125)87(146)118-63(40-53-23-11-8-12-24-53)86(145)116-60(30-31-67(97)128)83(142)114-58(28-19-36-103-91(99)100)79(138)108-49(3)74(133)111-56(26-14-17-34-94)82(141)121-66(47-126)90(149)150/h7-12,21-24,48-51,54-66,72-73,124-127H,13-20,25-47,93-96H2,1-6H3,(H2,97,128)(H2,98,129)(H,105,136)(H,106,147)(H,107,148)(H,108,138)(H,109,137)(H,110,130)(H,111,133)(H,112,139)(H,113,143)(H,114,142)(H,115,144)(H,116,145)(H,117,135)(H,118,146)(H,119,140)(H,120,134)(H,121,141)(H,122,131)(H,123,132)(H,149,150)(H4,99,100,103)(H4,101,102,104)/t49-,50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-/m0/s1
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| InChIKey |
XHVANRXEGZHQOX-GYDKITGDSA-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