Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01105
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| Drug Name |
LP-403812
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| Synonyms |
LP 403812; LP403812
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| Drug Type |
Small molecular drug
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C26H34N6O2S
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C(=NN3C(C)(C)C)C(=O)N4CCCC4CN5CCCC5
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| InChI |
InChI=1S/C26H34N6O2S/c1-17-9-11-18(12-10-17)23(33)28-25-27-22-21(35-25)20(29-32(22)26(2,3)4)24(34)31-15-7-8-19(31)16-30-13-5-6-14-30/h9-12,19H,5-8,13-16H2,1-4H3,(H,27,28,33)/t19-/m0/s1
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| InChIKey |
GJBQMIZKUFMWPV-IBGZPJMESA-N
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| Pharmaceutical Properties | Molecular Weight | 494.7 | Topological Polar Surface Area | 112 | ||
| Heavy Atom Count | 35 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
4.3
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
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