General Information of the Compound
| Compound ID |
CP0087522
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| Compound Name |
(12S)-12-[(1R)-2-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-hydroxyethyl]-17-pyrrolidin-1-yl-1,13-diazatricyclo[13.3.1.16,10]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
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| Structure |
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| Formula |
C38H48N4O4
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| Molecular Weight |
624.826
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| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCCn5cc(cc(N6CCCC6)c5=O)C(=O)N3)c4)c2c1
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| InChI |
InChI=1S/C38H48N4O4/c1-2-26-12-13-35-30(20-26)32(23-38(46-35)14-8-15-38)39-24-34(43)31-21-28-11-7-10-27(19-28)9-3-4-18-42-25-29(36(44)40-31)22-33(37(42)45)41-16-5-6-17-41/h7,10-13,19-20,22,25,31-32,34,39,43H,2-6,8-9,14-18,21,23-24H2,1H3,(H,40,44)/t31-,32-,34+/m0/s1
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| InChIKey |
NNIPUJZFEKQESE-VDCPHJTRSA-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