General Information of the Compound
| Compound ID |
CP0492735
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| Compound Name |
Boc-AdamGPI Trimer
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| Structure |
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| Formula |
C60H96N5O30P3
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| Molecular Weight |
1460.355
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2
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| InChI |
InChI=1S/C60H96N5O30P3/c1-56(2,3)95-55(88)61-23-6-4-5-7-45(69)65-60-33-57(20-14-42(66)62-39(52(82)83)17-24-96(89,90)27-36(49(76)77)8-11-46(70)71)30-58(34-60,21-15-43(67)63-40(53(84)85)18-25-97(91,92)28-37(50(78)79)9-12-47(72)73)32-59(31-57,35-60)22-16-44(68)64-41(54(86)87)19-26-98(93,94)29-38(51(80)81)10-13-48(74)75/h36-41H,4-35H2,1-3H3,(H,61,88)(H,62,66)(H,63,67)(H,64,68)(H,65,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,89,90)(H,91,92)(H,93,94)/t36?,37?,38?,39-,40-,41-,57?,58?,59?,60?/m0/s1
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| InChIKey |
NDYYDFAZSNLCTN-LLQFKQOXSA-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