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2D Structure
Also known as: Mk-1084, Chembl4875422, Calderasib [inn], Yqf4art47c, Schembl23273000, Bdbm50572111
Molecular Formula
C32H31ClF2N6O4
Molecular Weight
637.1  g/mol
InChI Key
BBIVCWWQPMOKAC-MSOLQXFVSA-N
FDA UNII
YQF4ART47C

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
19-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one
2.1.2 InChI
InChI=1S/C32H31ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h6-10,13,16-18H,1,11-12,14-15H2,2-5H3/t17-,18+/m1/s1
2.1.3 InChI Key
BBIVCWWQPMOKAC-MSOLQXFVSA-N
2.2 Other Identifiers
2.2.1 UNII
YQF4ART47C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Mk-1084

2. Chembl4875422

3. Calderasib [inn]

4. Yqf4art47c

5. Schembl23273000

6. Bdbm50572111

7. Mk1084

8. At48485

9. Hy-162431

10. Cs-1048397

2.4 Create Date
2021-08-21
3 Chemical and Physical Properties
Molecular Weight 637.1 g/mol
Molecular Formula C32H31ClF2N6O4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area100
Heavy Atom Count45
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1