General Information of the Compound
| Compound ID |
CP0100832
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| Compound Name |
CHEMBL1257448
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| Formula |
C24H27F4N5OS
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| Molecular Weight |
509.573
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2F)C(F)(F)F)n1C
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| InChI |
InChI=1S/C24H27F4N5OS/c1-14-21(34-13-29-14)22-30-31-23(32(22)2)35-9-3-8-33-17-5-6-18(33)11-15(10-17)19-7-4-16(12-20(19)25)24(26,27)28/h4,7,12-13,15,17-18H,3,5-6,8-11H2,1-2H3/t15-,17+,18-
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| InChIKey |
NWCMUBVTFZOFKO-VBUUOAMHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor