Payload Information
General Information of This Payload
| Payload ID | PAY0KDQZG |
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|---|---|---|---|---|---|---|
| Name | Tubulysin B analog Tub114 |
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| Synonyms |
Tubulysin B analog Tub114
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| Target(s) | Microtubule (MT) | |||||
| Structure |
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| Formula | C37H58N6O8S |
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| Isosmiles | CC[C@H](C)[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)c(N)c2)CC(C)C(=O)O)cs1)C(C)C |
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| InChI |
InChI=1S/C37H58N6O8S/c1-12-21(4)31(41-36(50)37(7,8)42(9)10)34(47)43(11)28(20(2)3)18-30(51-23(6)44)33-40-27(19-52-33)32(46)39-25(15-22(5)35(48)49)16-24-13-14-29(45)26(38)17-24/h13-14,17,19-22,25,28,30-31,45H,12,15-16,18,38H2,1-11H3,(H,39,46)(H,41,50)(H,48,49)/t21-,22?,25+,28+,30+,31-/m0/s1
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| InChIKey |
CQUUZTUOLOBXRZ-GTUSAAOYSA-N
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| Pharmaceutical Properties | Molecule Weight |
746.972 |
Polar area |
204.49 |
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Complexity |
746.4036838 |
xlogp Value |
4.2312 |
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Heavy Count |
52 |
Rot Bonds |
19 |
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Hbond acc |
11 |
Hbond Donor |
5 |
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Each Antibody-drug Conjugate Related to This Payload