Drug ID:   | NPD5233 |
Drug Name:   | Thiethylperazine |
Molecular Formula:   | C22H29N3S2 |
Canonical SMILES:   | CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1 |
Standard InCHI:   | InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3 |
Standard InCHIKey:   | XCTYLCDETUVOIP-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Intermediate Similarity | 0.8217 | NPC473417 |
Intermediate Similarity | 0.7797 | NPC328877 |
Intermediate Similarity | 0.7049 | NPC291610 |
Remote Similarity | 0.6871 | NPC320863 |
Remote Similarity | 0.6493 | NPC218710 |
Remote Similarity | 0.6449 | NPC475915 |
Remote Similarity | 0.6356 | NPC229477 |
Remote Similarity | 0.6258 | NPC321617 |
Remote Similarity | 0.6111 | NPC252794 |
Remote Similarity | 0.6103 | NPC296163 |
Remote Similarity | 0.605 | NPC134825 |
Remote Similarity | 0.6043 | NPC192209 |
Remote Similarity | 0.6043 | NPC313449 |
Remote Similarity | 0.5896 | NPC20322 |
Remote Similarity | 0.589 | NPC273714 |
Remote Similarity | 0.587 | NPC187036 |
Remote Similarity | 0.5865 | NPC313362 |
Remote Similarity | 0.5852 | NPC302790 |
Remote Similarity | 0.585 | NPC469949 |
Remote Similarity | 0.5816 | NPC31651 |
Remote Similarity | 0.5806 | NPC297532 |
Remote Similarity | 0.5786 | NPC143156 |
Remote Similarity | 0.5786 | NPC288232 |
Remote Similarity | 0.5767 | NPC66699 |
Remote Similarity | 0.5743 | NPC476140 |
Remote Similarity | 0.5714 | NPC474430 |
Remote Similarity | 0.5714 | NPC175916 |
Remote Similarity | 0.5696 | NPC20144 |
Remote Similarity | 0.5682 | NPC326792 |
Remote Similarity | 0.5677 | NPC124636 |
Remote Similarity | 0.5669 | NPC470926 |
Remote Similarity | 0.5667 | NPC9856 |
Remote Similarity | 0.5667 | NPC287895 |
Remote Similarity | 0.5662 | NPC434 |
Remote Similarity | 0.5662 | NPC79618 |
Remote Similarity | 0.5648 | NPC193370 |
Remote Similarity | 0.5638 | NPC135488 |
Remote Similarity | 0.5638 | NPC476950 |
Remote Similarity | 0.5605 | NPC470301 |
Remote Similarity | 0.5603 | NPC473901 |
Remote Similarity | 0.56 | NPC328590 |
TTD   | DAP000315 |
DrugBank   | DB00372 |
ChEMBL   | CHEMBL1378 |
IUPHAR/BPS   | 7306 |
PharmaGKB   | PA164748882 |
KEGG Drug   | D02354 |
PubChem CID   | 5440 |
ChEBI   | 9544 |
CAS Number   | 1420-55-9 |
Molecular Weight   | 399.18 |
ALogP   | 1.4574 |
MLogP   | 3.33 |
XLogP   | 4.729 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 60.32 |
RO5 Violation   | 0 |