Payload Information
General Information of This Payload
| Payload ID | PAY0QLDLE |
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|---|---|---|---|---|---|---|
| Name | Calicheamicin |
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| Synonyms |
Calicheamicin
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| Formula | C55H74IN3O21S4 |
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| Isosmiles | CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C/CSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC)O)I)C)O)O |
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| InChI |
InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1
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| InChIKey |
HXCHCVDVKSCDHU-DATRAAMPSA-N
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| Pharmaceutical Properties | Molecule Weight |
1368.369 |
Polar area |
308.44 |
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Complexity |
2598.931539 |
xlogp Value |
3.19682 |
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Heavy Count |
84 |
Rot Bonds |
22 |
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Hbond acc |
27 |
Hbond Donor |
8 |
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Each Antibody-drug Conjugate Related to This Payload